Found 7 results

Search term: KCSKCIQYNAOBNQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | biotin sulfoxide | C10H16N2O4S

biotin sulfoxide

  • Molecular FormulaC10H16N2O4S
  • Average mass260.310 Da
  • Monoisotopic mass260.083069 Da
  • ChemSpider ID34991026

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

biotin sulfoxide
(3aS,4S,6aR)-4-(4-Carboxybutyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-5-ium-5-olat [German] [ACD/IUPAC Name]
(3aS,4S,6aR)-4-(4-Carboxybutyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-5-ium-5-olate [ACD/IUPAC Name]
(3aS,4S,6aR)-4-(4-Carboxybutyl)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-5-ium-5-olate [French] [ACD/IUPAC Name]
1H-Thieno[3,4-d]imidazolium, 4-(4-carboxybutyl)hexahydro-5-hydroxy-2-oxo-, inner salt, (3aS,4S,6aR)- [ACD/Index Name]
3376-83-8 [RN]
HGG20TDA94
UNII:HGG20TDA94
UNII-HGG20TDA94

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#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: 101 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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