ChemSpider 2D Image | 5-[(3aR,6S,6aS)-2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl](3,4-~3~H_2_)pentanoic acid | C10H14T2N2O3S

5-[(3aR,6S,6aS)-2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl](3,4-3H2)pentanoic acid

  • Molecular FormulaC10H14T2N2O3S
  • Average mass248.327 Da
  • Monoisotopic mass248.104614 Da
  • ChemSpider ID57262422

  • 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-6-pentanoic-β,γ-t2 acid, 3a,4,6,6a-tetrahydro-2-hydroxy-, (3aR,6S,6aS)- [ACD/Index Name]
5-[(3aR,6S,6aS)-2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl](3,4-3H2)pentanoic acid [ACD/IUPAC Name]
5-[(3aR,6S,6aS)-2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl](3,4-3H2)pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3aR,6S,6aS)-2-hydroxy-3a,4,6,6a-tétrahydro-1H-thiéno[3,4-d]imidazol-6-yl](3,4-3H2)pentanoïque [French] [ACD/IUPAC Name]
D-[8,9-3H] BIOTIN

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

Density:
Boiling Point: 492.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 251.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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