Found 7 results

Search term: KCSKCIQYNAOBNQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-[(3aR,4R,6aS)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid | C10H16N2O4S

5-[(3aR,4R,6aS)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

  • Molecular FormulaC10H16N2O4S
  • Average mass260.310 Da
  • Monoisotopic mass260.083069 Da
  • ChemSpider ID78520126

  • defined stereocentres - 3 of 4 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-, 5-oxide, (3aR,4R,6aS)- [ACD/Index Name]
5-[(3aR,4R,6aS)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid [ACD/IUPAC Name]
5-[(3aR,4R,6aS)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3aR,4R,6aS)-2-oxo-5-oxydohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoïque [French] [ACD/IUPAC Name]
2173930-24-8 [RN]
5-[(3aR,4R,6aS)-2,5-dioxo-hexahydro-1H-5??-thieno[3,4-d]imidazol-4-yl]pentanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.0±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 375.3±29.6 °C
Index of Refraction: 1.624
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 175.9±5.0 cm3

Click to predict properties on the Chemicalize site


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