ChemSpider 2D Image | (2S)-2-Amino-4-[dihydroxy(4-hydroxy-3-methoxy-5-nitrobenzoyl)phosphoranyl]butanoic acid | C12H17N2O9P

(2S)-2-Amino-4-[dihydroxy(4-hydroxy-3-methoxy-5-nitrobenzoyl)phosphoranyl]butanoic acid

  • Molecular FormulaC12H17N2O9P
  • Average mass364.245 Da
  • Monoisotopic mass364.067169 Da
  • ChemSpider ID34947386

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-[dihydroxy(4-hydroxy-3-methoxy-5-nitrobenzoyl)phosphoranyl]butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[dihydroxy(4-hydroxy-3-methoxy-5-nitrobenzoyl)phosphoranyl]butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-[dihydroxy(4-hydroxy-3-méthoxy-5-nitrobenzoyl)phosphoranyl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[dihydroxy(4-hydroxy-3-methoxy-5-nitrobenzoyl)phosphoranyl]-, (2S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 76.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 196 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 84.1±7.0 dyne/cm
Molar Volume: 209.2±7.0 cm3

Click to predict properties on the Chemicalize site


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