ChemSpider 2D Image | (2S)-2-Amino-4-[hydroxy(4-hydroxy-3-nitrobenzyl)phosphoryl]butanoic acid | C11H15N2O7P

(2S)-2-Amino-4-[hydroxy(4-hydroxy-3-nitrobenzyl)phosphoryl]butanoic acid

  • Molecular FormulaC11H15N2O7P
  • Average mass318.220 Da
  • Monoisotopic mass318.061676 Da
  • ChemSpider ID76791505

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-[hydroxy(4-hydroxy-3-nitrobenzyl)phosphoryl]butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[hydroxy(4-hydroxy-3-nitrobenzyl)phosphoryl]butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-[hydroxy(4-hydroxy-3-nitrobenzyl)phosphoryl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[hydroxy[(4-hydroxy-3-nitrophenyl)methyl]phosphinyl]-, (2S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 83.0±3.0 dyne/cm
Molar Volume: 202.4±3.0 cm3

Click to predict properties on the Chemicalize site


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