ChemSpider 2D Image | (2S)-2-Hydrazino-3-[3-hydroxy-4-(phosphonooxy)phenyl]-2-methylpropanoic acid | C10H15N2O7P

(2S)-2-Hydrazino-3-[3-hydroxy-4-(phosphonooxy)phenyl]-2-methylpropanoic acid

  • Molecular FormulaC10H15N2O7P
  • Average mass306.209 Da
  • Monoisotopic mass306.061676 Da
  • ChemSpider ID64854094

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-Hydrazino-3-[3-hydroxy-4-(phosphonooxy)phenyl]-2-methylpropanoic acid [ACD/IUPAC Name]
(2S)-2-Hydrazino-3-[3-hydroxy-4-(phosphonooxy)phenyl]-2-methylpropansäure [German] [ACD/IUPAC Name]
1907685-81-7 [RN]
Acide (2S)-2-hydrazino-3-[3-hydroxy-4-(phosphonooxy)phényl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-hydrazinyl-3-hydroxy-α-methyl-4-(phosphonooxy)-, (αS)- [ACD/Index Name]
(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid
(2S)-2-hydrazinyl-3-[3-hydroxy-4-(phosphonooxy)phenyl]-2-methylpropanoic acid
150810-69-8 [RN]
1907686-07-0 [RN]
Carbidopa 4'-Monophosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5NT8HCA4OO [DBID]
  • Miscellaneous

    • Chemical Class:

      An L-tyrosine derivative that is carbidopa in which the hydroxy group at position 4' is replaced by a phosphonooxy group. It is a water-soluble prodrug of carbidopa which is used for the treatment of Parkinson's disease. ChEBI CHEBI:192511

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 646.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -5.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 88.3±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

Click to predict properties on the Chemicalize site


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