ChemSpider 2D Image | (2S)-2-({[(1R)-1-Aminoethyl](hydroxy)phosphoryl}methyl)succinic acid | C7H14NO6P

(2S)-2-({[(1R)-1-Aminoethyl](hydroxy)phosphoryl}methyl)succinic acid

  • Molecular FormulaC7H14NO6P
  • Average mass239.163 Da
  • Monoisotopic mass239.055878 Da
  • ChemSpider ID25057153

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-({[(1R)-1-Aminoethyl](hydroxy)phosphoryl}methyl)bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-({[(1R)-1-Aminoethyl](hydroxy)phosphoryl}methyl)succinic acid [ACD/IUPAC Name]
(2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
Acide (2S)-2-({[(1R)-1-aminoéthyl](hydroxy)phosphoryl}méthyl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[[(1R)-1-aminoethyl]hydroxyphosphinyl]methyl]-, (2S)- [ACD/Index Name]
B88

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

Density: 1.5±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 283.3±30.1 °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: -0.62
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
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

Click to predict properties on the Chemicalize site


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