ChemSpider 2D Image | 5,6-Dideoxy-1,2-O-isopropylidene-5-(2-methoxy-2-oxoethyl)-3-O-methyl-6-[(4-methylphenyl)sulfonyl]-beta-L-idofuranose | C20H28O8S

5,6-Dideoxy-1,2-O-isopropylidene-5-(2-methoxy-2-oxoethyl)-3-O-methyl-6-[(4-methylphenyl)sulfonyl]-β-L-idofuranose

  • Molecular FormulaC20H28O8S
  • Average mass428.496 Da
  • Monoisotopic mass428.150482 Da
  • ChemSpider ID30658827

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5,6-Dideoxy-1,2-O-isopropylidene-5-(2-methoxy-2-oxoethyl)-3-O-methyl-6-[(4-methylphenyl)sulfonyl]-β-L-idofuranose [ACD/IUPAC Name]
5,6-Didesoxy-1,2-O-isopropyliden-5-(2-methoxy-2-oxoethyl)-3-O-methyl-6-[(4-methylphenyl)sulfonyl]-β-L-idofuranose [German] [ACD/IUPAC Name]
5,6-Didésoxy-1,2-O-isopropylidène-5-(2-méthoxy-2-oxoéthyl)-3-O-méthyl-6-[(4-méthylphényl)sulfonyl]-β-L-idofuranose [French] [ACD/IUPAC Name]
α-D-gluco-Heptofuranuronic acid, 5,6-dideoxy-3-O-methyl-1,2-O-(1-methylethylidene)-5-[[(4-methylphenyl)sulfonyl]methyl]-, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.8±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.73
ACD/KOC (pH 5.5): 741.16
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.73
ACD/KOC (pH 7.4): 741.16
Polar Surface Area: 106 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 331.2±5.0 cm3

Click to predict properties on the Chemicalize site


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