ChemSpider 2D Image | (2S)-2-({[(1R)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoic acid | C14H22NO5P

(2S)-2-({[(1R)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoic acid

  • Molecular FormulaC14H22NO5P
  • Average mass315.302 Da
  • Monoisotopic mass315.123566 Da
  • ChemSpider ID59053965

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-({[(1R)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-({[(1R)-1-Amino-3-methylbutyl](hydroxy)phosphoryl}oxy)-3-phenylpropansäure [German] [ACD/IUPAC Name]
(2S)-2-{[(S)-[(1R)-1-Amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-{[(S)-[(1R)-1-Amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-({[(1R)-1-amino-3-méthylbutyl](hydroxy)phosphoryl}oxy)-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Acide (2S)-2-{[(S)-[(1R)-1-amino-3-méthylbutyl](hydroxy)phosphoryl]oxy}-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(S)-[(1S,1R)-1-amino-3-methylbutyl]hydroxyphosphinyl]oxy]-, (αS)- [ACD/Index Name]
Benzenepropanoic acid, α-[[[(1R)-1-amino-3-methylbutyl]hydroxyphosphinyl]oxy]-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 247.3±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 248.7±3.0 cm3

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