ChemSpider 2D Image | (2S)-2-Amino-4-[(S)-[3-(carboxymethyl)phenoxy](methoxy)phosphoryl]butanoic acid | C13H18NO7P

(2S)-2-Amino-4-[(S)-[3-(carboxymethyl)phenoxy](methoxy)phosphoryl]butanoic acid

  • Molecular FormulaC13H18NO7P
  • Average mass331.258 Da
  • Monoisotopic mass331.082092 Da
  • ChemSpider ID32821854

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-4-[(S)-[3-(carboxymethyl)phenoxy](methoxy)phosphoryl]butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[(S)-[3-(carboxymethyl)phenoxy](methoxy)phosphoryl]butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-[(S)-[3-(carboxyméthyl)phénoxy](méthoxy)phosphoryl]butanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[(S)-[(1S,3S)-3-amino-3-carboxypropyl]methoxyphosphinyl]oxy]- [ACD/Index Name]
(S)-2-amino-4-((S)-(3-(carboxymethyl)phenoxy)(methoxy)phosphoryl)butanoic acid
926281-37-0 [RN]
GGsTop

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 291.1±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 236.1±3.0 cm3

Click to predict properties on the Chemicalize site


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