ChemSpider 2D Image | 2-Amino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxo-2-butanyl}oxy)(phenoxy)phosphoryl]butanoic acid | C16H23N2O8P

2-Amino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxo-2-butanyl}oxy)(phenoxy)phosphoryl]butanoic acid

  • Molecular FormulaC16H23N2O8P
  • Average mass402.336 Da
  • Monoisotopic mass402.119202 Da
  • ChemSpider ID31127124

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Amino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxo-2-butanyl}oxy)(phenoxy)phosphoryl]butanoic acid [ACD/IUPAC Name]
2-Amino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxo-2-butanyl}oxy)(phenoxy)phosphoryl]butansäure [German] [ACD/IUPAC Name]
Acide 2-amino-4-[(S)-({(2S)-1-[(carboxyméthyl)amino]-1-oxo-2-butanyl}oxy)(phénoxy)phosphoryl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[(S)-[(1S)-1-[[(carboxymethyl)amino]carbonyl]propoxy]phenoxyphosphinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.8±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -4.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 292.1±3.0 cm3

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