ChemSpider 2D Image | (1S,4aS,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate | C17H26O10

(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate

  • Molecular FormulaC17H26O10
  • Average mass390.382 Da
  • Monoisotopic mass390.152588 Da
  • ChemSpider ID24718527

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate [ACD/IUPAC Name]
(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,4aS,7S,7aS)-7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methylcyclopenta[c]pyran-1-yl [ACD/Index Name]
53839-03-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518538/
Reptoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 210.9±23.6 °C
Index of Refraction: 1.605
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 155 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 259.0±5.0 cm3

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