ChemSpider 2D Image | 5-{(3aS,4S,6aR)-1-[(Benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid | C18H22N2O5S

5-{(3aS,4S,6aR)-1-[(Benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid

  • Molecular FormulaC18H22N2O5S
  • Average mass378.443 Da
  • Monoisotopic mass378.124939 Da
  • ChemSpider ID26329306

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-1-[(phenylmethoxy)carbonyl]-, (3aS,4S,6aR)- [ACD/Index Name]
5-{(3aS,4S,6aR)-1-[(Benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid [ACD/IUPAC Name]
5-{(3aS,4S,6aR)-1-[(Benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentansäure [German] [ACD/IUPAC Name]
Acide 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl}pentanoïque [French] [ACD/IUPAC Name]
VHI

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 14.91
ACD/KOC (pH 5.5): 139.73
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 121 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 286.1±3.0 cm3

Click to predict properties on the Chemicalize site


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