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Ibandronic acid

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Identification
Molecular formula
C4H12NO7P2
CAS number
138844-63-0
IUPAC name
(4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid
State
State

At room temperature, Ibandronic acid is typically found as a solid crystalline powder.

Melting point (Celsius)
148.00
Melting point (Kelvin)
421.00
Boiling point (Celsius)
261.00
Boiling point (Kelvin)
534.00
General information
Molecular weight
319.17g/mol
Molar mass
319.1640g/mol
Density
2.0215g/cm3
Appearence

Ibandronic acid appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid

The solubility of the compound (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid, with the molecular formula C4H12NO7P2, is influenced by its functional groups and ionic nature. This phosphonic acid is known to exhibit significant solubility characteristics, which can be attributed to the following factors:

  • Polar nature: The presence of multiple polar functional groups, such as amino (-NH2), hydroxyl (-OH), and phosphonate (-P(=O)(OH)2), leads to increased interactions with water molecules, enhancing solubility.
  • Hydrogen bonding: The capability to form hydrogen bonds with water molecules allows this compound to dissolve easily in aqueous solutions.
  • pH dependency: The solubility can also vary with pH due to the protonation and deprotonation of the functional groups, which can alter the compound's ionic character.
  • Competitive solvation: In the presence of various solutes or complexing agents, the solubility may change. This means that the solvation dynamics can be influenced by surrounding chemical environments.

Generally, phosphonic acids like (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid tend to be highly soluble in water. It is often stated that, in the case of phosphonic acids, "the more polar the structure, the more soluble it becomes." Consequently, this compound can be expected to dissolve readily, making it suitable for various applications in biological and environmental fields.

Interesting facts

Interesting Facts about (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid

(4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid, often referred to as a key player in various biochemical applications, is of particular interest to chemists for several reasons:

  • Biological Role: This compound is a significant metabolite of glyphosate, a widely used herbicide. It serves as an indicator of glyphosate degradation and helps in tracing its impact on environmental systems.
  • Phosphonic Acid Derivative: Being a phosphonic acid, it contains the -P(=O)(OH)2- group, which plays a crucial role in biochemical processes by mimicking phosphate groups in biological systems.
  • Amino Functional Group: The presence of the amino group (–NH2) in its structure contributes to its ability to interact with various biological molecules, enhancing its versatility in research.
  • Applications in Agriculture: Beyond its role in herbicide metabolism, the compound can be used to foster better understanding of plant stress responses and nutrient utilization.
  • Potential for Synthesis: The intricate structure allows scientists to explore synthetic pathways that can lead to the development of novel phosphonic compounds with tailored applications.

In conclusion, (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid is not just a chemically significant compound, but also a window into larger discussions about ecological sustainability, agricultural productivity, and advanced chemical synthesis. As we explore its properties and applications, it serves as a reminder of the intricate connections within our ecosystems.

Synonyms
ALENDRONIC ACID
alendronate
66376-36-1
Fosamax
Acido alendronico
Acide alendronique
(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
Acidum alendronicum
bisphosphonate
Arendal
(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid
Alendronate acid
(4-Amino-1-hydroxybutylidene)bisphosphonic acid
ABDP
Acide alendronique [INN-French]
Acido alendronico [INN-Spanish]
Acidum alendronicum [INN-Latin]
(4-Amino-1-hydroxybutylidene)diphosphonic acid
4-Amino-1-hydroxybutane-1,1-diphosphonic Acid
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-
(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)
UNII-X1J18R4W8P
MK 217
CHEBI:2567
X1J18R4W8P
HSDB 7990
4-Amino-1-hydroxybutylidene-1,1-bis(phosphonic acid)
Alendronic acid (INN)
MK-217
CHEMBL870
Alendronate sodium hydrate
DTXSID5022568
P,P'-(4-Amino-1-hydroxybutylidene)bisphosphonic acid
(4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid
ALENDRONATE (MART.)
ALENDRONATE [MART.]
ALENDRONIC ACID [INN]
Alendronic acid [INN:BAN]
Acide alendronique (INN-French)
Acido alendronico (INN-Spanish)
Acidum alendronicum (INN-Latin)
Phosphonic acid, P,P'-(4-amino-1-hydroxybutylidene)bis-
bisphosphonate, 65
NCGC00096054-03
4-Amino-1-hydroxybutylidene-1,1-bisphosphonate
SR-05000001906
1yhm
MFCD00868112
ABDP-d6
4-Amino-1-hydroxybutane-1,1-diphosphonate
ALENDRONATE [VANDF]
BPH 1
Oprea1_422906
SCHEMBL18898
ALENDRONIC ACID [MI]
alpha-hydroxy-delta-aminobutylidenediphosphonic acid
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis
BIDD:GT0180
SPECTRUM1505166
DTXCID202568
GTPL3141
BDBM25313
66376-36-1 (unlabeled)
ALENDRONIC ACID [WHO-DD]
M05BA04
ALENDRONIC ACID [EMA EPAR]
HY-B0631
KRB43739
HSCI1_000337
s5536
AKOS001015793
DB00630
FA38407
NCGC00096054-01
NCGC00096054-04
AS-10963
SBI-0206778.P001
A2120
CS-0009566
NS00004332
4-amino-1-hydroxybutylidene-bisphosphonic acid
C07752
D07119
D88506
4-Amino-1- hydroxybutane-1,1-diphosphonate-d6
AB01274863-01
(4-Amino-1-Hydroxybutylidene)-Bisphosphonic Acid
4-amino-1-hydroxybutane-1,1-diyldiphosphonic acid
A835441
Q420057
SR-05000001906-1
(4-amino-1-hydroxybutane-1,1-diyl)bisphosphonic acid
BRD-K75527158-323-01-3
BRD-K75527158-360-04-9
BRD-K75527158-360-05-6
BRD-K75527158-360-06-4
Z56771118
(4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid
.ALPHA.-HYDROXY-.DELTA.-AMINOBUTYLIDENEDIPHOSPHONIC ACID