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Search term: KCSKCIQYNAOBNQ-YBSFLMRUSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | 5-[(3aS,4S,6aR)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate | C10H15N2O4S

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

  • Molecular FormulaC10H15N2O4S
  • Average mass259.303 Da
  • Monoisotopic mass259.075806 Da
  • ChemSpider ID26332500

  • Charge - Charge

    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-, ion(1-), 5-oxide, (3aS,4S,6aR)- [ACD/Index Name]
5-[(3aS,4S,6aR)-2-Oxo-5-oxydohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoate [French] [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoat [German] [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-5-Oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate [ACD/IUPAC Name]
biotin sulfoxide
biotinate S-oxide
biotinate sulfoxide
biotinate sulfoxide(1-)
D-biotin sulfoxide
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of biotin sulfoxide; major species at pH 7.3. ChEBI CHEBI:62046

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

Density:
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:
Molar Refractivity:
#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: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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