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Sodium nitroprusside

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Identification
Molecular formula
C6H9N3O11
CAS number
3253-48-5
IUPAC name
[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
State
State

The compound is a solid at room temperature.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.15
Boiling point (Celsius)
185.00
Boiling point (Kelvin)
458.15
General information
Molecular weight
236.13g/mol
Molar mass
236.1280g/mol
Density
1.7200g/cm3
Appearence

The compound appears as white crystals.

Comment on solubility

Solubility of [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

The solubility of the compound [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is influenced by several factors inherent to its chemical structure and composition. Understanding these factors can elucidate potential applications and environmental behavior of this compound. Here are some key points regarding its solubility:

  • Polarity: The presence of nitro and nitrate groups suggests that the compound might be polar. Polar compounds generally exhibit better solubility in polar solvents such as water.
  • Molecular Interactions: Hydrogen bonding potential due to hydroxyl and nitro groups may enhance solubility in appropriate solvents.
  • Solvation Effect: The solvation dynamics with specific solvent molecules could lead to variable solubility; for instance, in organic solvents like alcohols, solubility may increase.
  • Temperature Factor: Solubility is often temperature-dependent; thus, increasing the temperature might improve the solubility of this compound.

Due to its complex structure, it might be necessary to conduct empirical solubility tests to establish definitive solubility parameters under various conditions. In summary, while the theoretical insights provide a groundwork for predicting solubility, empirical data will be essential for practical applications.

Interesting facts

Interesting Facts About [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] Nitrate

This unique compound is part of a larger group known as nitro derivatives, which are characterized by the presence of nitro groups (-NO₂). The intricate structure of this molecule results in several fascinating aspects:

1. Structural Complexity

The molecular structure of this compound exhibits a distinctive fused ring system that is conducive to various chemical reactions. The presence of the furofuran segment adds additional reactivity, making this compound of significant interest in organic synthesis.

2. Potential Applications

Compounds containing nitro and nitrate functional groups show promise in various fields, including:

  • Pharmaceuticals: Some nitro compounds are known for their pharmacological activities, possibly serving as precursors for drug development.
  • Explosives: Nitro compounds are commonly used in the production of explosives due to their high energy density.
  • Agricultural Chemicals: Certain derivatives may find applications as pesticides or fertilizers.

3. Stereochemistry

The compound displays noteworthy stereochemistry with specific configurations at multiple chiral centers, indicated by the stereochemical designations (3S, 3aS, 6R, 6aS). This stereochemical complexity can lead to variations in reactivity and biological activity, emphasizing the importance of chiral purity in its application.

4. Reactivity and Stability

The nitro function introduces unique reactivity patterns. In the presence of reducing environments, such compounds can undergo various transformations:

  • Reduction to amines
  • Formation of hydroxylamine derivatives

Understanding these reactions is crucial for chemists seeking to utilize this compound effectively in both synthetic and practical applications.

5. Environmental Impact

The fate of nitro compounds in the environment is an area of significant study. Due to their potential toxicity and persistence, assessments are being conducted to evaluate their ecological impact and to devise strategies for environmental remediation.

This compound serves as a fascinating example of the intersection between structure and function in chemistry, showcasing the diverse possibilities that can arise from seemingly simple modifications to organic molecules.

Synonyms
ISOSORBIDE DINITRATE
87-33-2
Sorbidnitrate
Isordil
Sorbide nitrate
Dinitrosorbide
Sorbitrate
Dilatrate-SR
Nitrosorbide
Carvasin
Sorbidilat
Vascardin
Flindix
Isoket
Isorbid
ISDN
Claodical
Corosorbide
Nitrosorbid
Nitrosorbon
Sorbangil
Vasodilat
Vasorbate
Carvanil
Cedocard
Cornilat
Coronex
Difutrat
Harrical
Isotrate
Korodil
Lomilan
Myorexon
Resoidan
Rigedal
Sorbislo
Sorbonit
Sorquad
Tinidil
Cardis
Emoper
Maycor
Nosim
Xanyl
Sorbide, dinitrate
Isordil Tembids
Rifloc Retard
D-Isosorbide dinitrate
Dilatrate
Iso-Bid
Dinitroisosorbide
Cardio 10
Astridine
Isochron
Dianhydrosorbitol 2,5-dinitrate
Isosorbide 2,5-dinitrate
Dignionitrat
Sorbidinitrate
Angidil
Corovliss
Diniket
Disorlon
Isodinit
Langoran
Laserdil
Sorbide
Sorquat
Sorbidi nitras
EureCor
Dilatrate SR
Isosorbidi nitras
Iso-Puren
Dinitrate d'isosorbide
Iso-Mack
IBD 20
Dinitrato de isosorbida
Isosorbidi dinitras
Sorate-5
Isostat
Sorate-10
Sorbide T.D.
Cedocard Retard
D-Glucitol, 1,4:3,6-dianhydro-, dinitrate
1,4:3,6-Dianhydrosorbitol 2,5-dinitrate
Isomannide-dinitrate
SST-101
1,4:3,6-Dianhydro-D-glucitol dinitrate
CCRIS 1910
HSDB 3417
Isosorbidi dinitras [INN-Latin]
EINECS 201-740-9
Dinitrate d'isosorbide [INN-French]
NSC 80038
NSC-80038
Dinitrato de isosorbida [INN-Spanish]
CHEBI:6061
UNII-IA7306519N
NSC80038
Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-
IA7306519N
Isomak R
[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Cardonit 40
DTXSID0045832
Frandol
C01DA08
EC 201-740-9
1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol
(3R,3aS,6S,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate
Isoket retard 40
ISD
Isoket Retard 120
BIDIL COMPONENT ISOSORBIDE DINITRATE
Isosorbide dinitrate [USAN:USP:INN:BAN:JAN]
Isosorbide dinitrato
Dinitrate, Isosorbide
Isosorbide dinitrato [DCIT]
DTXCID8025832
1246815-45-1
Isosorbidi dinitras (INN-Latin)
Dinitrate d'isosorbide (INN-French)
ISOSORBIDE DINITRATE (MART.)
ISOSORBIDE DINITRATE [MART.]
Dinitrato de isosorbida (INN-Spanish)
TYB 3215
Diluted isosorbide dinitrate
SDM No. 40
SDM No. 50
SMR000857256
Isordil (TN)
ISOSORBIDE DINITRATE (USP IMPURITY)
ISOSORBIDE DINITRATE [USP IMPURITY]
Dilatrate-sr (TN)
Isosorbide dinitrate (USAN:USP:INN:BAN:JAN)
SR-05000001658
UN2907
IsordilTitradose
CAS-87-33-2
Prestwick_81
NCGC00094703-01
isosorbide-dinitrate
MFCD00868238
Spectrum_000163
1,4:3, 6-Dianhydro-D-glucitol dinitrate
Prestwick0_000714
Prestwick1_000714
Prestwick2_000714
Prestwick3_000714
Spectrum2_001069
Spectrum3_000600
Spectrum4_000025
Spectrum5_001057
1,4:3,6-Dianhydrosorbitol 2, 5-dinitrate
Isosorbidi dinitras dilutes
Isosorbidi dinitras dilutus
Diluted-isosorbide dinitrate
SCHEMBL8253
CHEMBL6622
BSPBio_000927
BSPBio_002080
Isosorbide dinitrate, diluted
KBioGR_000429
KBioSS_000643
MLS001333561
MLS001333562
DivK1c_000436
SPECTRUM1500358
Isosorbide dinitrate, diluted-
SPBio_001058
SPBio_002848
Diluted isosorbide dinitrate rs
BPBio1_001021
GTPL7051
Isosorbide dinitrate (Standard)
HMS501F18
HY-B1409R
KBio1_000436
KBio2_000643
KBio2_003211
KBio2_005779
KBio3_001580
ISOSORBIDE DINITRATE [MI]
MOYKHGMNXAOIAT-JGWLITMVSA-N
NINDS_000436
HMS1570O09
HMS1920H15
HMS2091P05
HMS2097O09
HMS2230C09
HMS3714O09
ISOSORBIDE DINITRATE [INN]
ISOSORBIDE DINITRATE [JAN]
Pharmakon1600-01500358
ISOSORBIDE DINITRATE [HSDB]
ISOSORBIDE DINITRATE [USAN]
HY-B1409
1,6-Dianhydro-D-glucitol dinitrate
ISOSORBIDE DINITRATE [VANDF]
Tox21_111317
CCG-40110
NSC757080
1,6-Dianhydrosorbitol 2,5-dinitrate
ISOSORBIDE DINITRATE [WHO-DD]
AKOS015895227
AKOS015960761
AKOS015994784
Tox21_111317_1
DB00883
GS-6631
Isosorbide dinitrate (JP18/USP/INN)
MI09907
NSC-757080
IDI1_000436
NCGC00178830-01
NCGC00178830-02
NCGC00178830-05
AC-12153
D-Glucitol,4:3,6-dianhydro-, dinitrate
ISOSORBIDE DINITRATE [ORANGE BOOK]
SBI-0051421.P003
AB00513900
CS-0013129
DILUTED-ISOSORBIDE DINITRATE [WHO-IP]
Glucitol,4:3,6-dianhydro-, dinitrate, D-
NS00001490
ISOSORBIDE DINITRATE COMPONENT OF BIDIL
C07456
D00516
EN300-222758
H10018
AB00052026_07
Glucitol, 1,4:3, 6-dianhydro-, dinitrate, D-
ISDN;1,4:3,6-Dianhydro-2,5-dinitro-D-glucitol
ISOSORBIDI DINITRAS DILUTUS [WHO-IP LATIN]
Q179748
SR-05000001658-1
SR-05000001658-3
SR-05000001658-5
BRD-K55853390-001-12-4
BRD-K55853390-001-13-2
Z2044782386
ISOSORBIDE MONONITRATE, DILUTED IMPURITY B [EP IMPURITY]
Isosorbide dinitrate - 60% lactose and 40% Isosorbide dinitrate
(3S,3aS,6R,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate
[(3R,3aS,6S,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
[(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
201-740-9
54650-95-2