ChemSpider 2D Image | N-(Carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine | C12H12N2O7S

N-(Carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine

  • Molecular FormulaC12H12N2O7S
  • Average mass328.298 Da
  • Monoisotopic mass328.036530 Da
  • ChemSpider ID28506952

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, N-(carboxycarbonyl)-S-[(3-nitrophenyl)methyl]- [ACD/Index Name]
N-(Carboxycarbonyl)-S-(3-nitrobenzyl)-L-cystein [German] [ACD/IUPAC Name]
N-(Carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine [ACD/IUPAC Name]
N-(Carboxycarbonyl)-S-(3-nitrobenzyl)-L-cystéine [French] [ACD/IUPAC Name]
1361296-30-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 209.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement