ChemSpider 2D Image | 4-Deoxy-2-O-sulfo-beta-L-threo-hex-4-enopyranuronic acid | C6H8O9S

4-Deoxy-2-O-sulfo-β-L-threo-hex-4-enopyranuronic acid

  • Molecular FormulaC6H8O9S
  • Average mass256.187 Da
  • Monoisotopic mass255.988907 Da
  • ChemSpider ID61713596

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Deoxy-2-O-sulfo-β-L-threo-hex-4-enopyranuronic acid [ACD/IUPAC Name]
4-Desoxy-2-O-sulfo-β-L-threo-hex-4-enopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-désoxy-2-O-sulfo-β-L-thréo-hex-4-énopyranuronique [French] [ACD/IUPAC Name]
β-L-threo-Hex-4-enopyranuronic acid, 4-deoxy-, 2-(hydrogen sulfate) [ACD/Index Name]
1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID
UAP

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 46.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -6.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 120.8±5.0 dyne/cm
Molar Volume: 124.3±5.0 cm3

Click to predict properties on the Chemicalize site


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