ChemSpider 2D Image | 5-[(3aS,4S,6aR)-2-Oxo(2-~14~C)hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid | C914CH16N2O3S

5-[(3aS,4S,6aR)-2-Oxo(2-14C)hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

  • Molecular FormulaC914CH16N2O3S
  • Average mass246.303 Da
  • Monoisotopic mass246.091400 Da
  • ChemSpider ID114394251

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Thieno[3,4-d]imidazole-2-14C-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
5-[(3aS,4S,6aR)-2-Oxo(2-14C)hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-2-Oxo(2-14C)hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3aS,4S,6aR)-2-oxo(2-14C)hexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoïque [French] [ACD/IUPAC Name]

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: 1.545
Molar Refractivity: 60.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 192.7±3.0 cm3

Click to predict properties on the Chemicalize site


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