ChemSpider 2D Image | 3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID | C7H14NO6P

3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID

  • Molecular FormulaC7H14NO6P
  • Average mass239.163 Da
  • Monoisotopic mass239.055878 Da
  • ChemSpider ID26329974

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-[(S)-[(1S)-1-Amino-2-carboxyethyl](hydroxy)phosphoryl]-2-methylpropanoic acid [ACD/IUPAC Name]
(2R)-3-[(S)-[(1S)-1-Amino-2-carboxyethyl](hydroxy)phosphoryl]-2-methylpropansäure [German] [ACD/IUPAC Name]
3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID
Acide (2R)-3-[(S)-[(1S)-1-amino-2-carboxyéthyl](hydroxy)phosphoryl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(S)-[(1S,1S)-1-amino-2-carboxyethyl]hydroxyphosphinyl]-2-methyl-, (2R)- [ACD/Index Name]
(2R)-3-[(1S)-1-amino-2-carboxyethyl(hydroxy)phosphoryl]-2-methylpropanoic acid
(2R)-3-{[(1S)-1-amino-2-carboxyethyl](hydroxy)phosphoryl}-2-methylpropanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 328.6±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -5.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 159.4±3.0 cm3

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