ChemSpider 2D Image | MFCD03938867 | C24H22N2O6S

MFCD03938867

  • Molecular FormulaC24H22N2O6S
  • Average mass466.506 Da
  • Monoisotopic mass466.119843 Da
  • ChemSpider ID18503940

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Nitrophenyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinate [ACD/IUPAC Name]
4-Nitrophenyl-S-benzyl-N-[(benzyloxy)carbonyl]cysteinat [German] [ACD/IUPAC Name]
Cysteine, N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)-, 4-nitrophenyl ester [ACD/Index Name]
MFCD03938867
S-Benzyl-N-[(benzyloxy)carbonyl]cystéinate de 4-nitrophényle [French] [ACD/IUPAC Name]
S-BENZYL-N-CARBOBENZYLOXY-L-CYSTEINE 4-NITROPHENYL ESTER
(4-nitrophenyl) (2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
(R)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-3-(benzylthio)propanoate
[3401-37-4] [RN]
3401-37-4 [RN]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7394.86
ACD/KOC (pH 5.5): 20462.98
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7385.22
ACD/KOC (pH 7.4): 20436.31
Polar Surface Area: 136 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 353.0±3.0 cm3

Click to predict properties on the Chemicalize site


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