ChemSpider 2D Image | (3aR,6aS)-5-[(2-Chlorophenyl)sulfonyl]-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid | C13H13ClN2O5S

(3aR,6aS)-5-[(2-Chlorophenyl)sulfonyl]-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid

  • Molecular FormulaC13H13ClN2O5S
  • Average mass344.771 Da
  • Monoisotopic mass344.023376 Da
  • ChemSpider ID29730174

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-5-[(2-Chlorophenyl)sulfonyl]-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid [ACD/IUPAC Name]
(3aR,6aS)-5-[(2-Chlorphenyl)sulfonyl]-1-oxohexahydropyrrolo[3,4-c]pyrrol-3a(1H)-carbonsäure [German] [ACD/IUPAC Name]
Acide (3aR,6aS)-5-[(2-chlorophényl)sulfonyl]-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid, 5-[(2-chlorophenyl)sulfonyl]hexahydro-1-oxo-, (3aR,6aS)- [ACD/Index Name]
(3aR*,6aS*)-5-[(2-chlorophenyl)sulfonyl]-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid

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: 1.654
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 212.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement