ChemSpider 2D Image | (1R,4aR,5S,7R,7aR)-1-(beta-L-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate | C17H26O11

(1R,4aR,5S,7R,7aR)-1-(β-L-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate

  • Molecular FormulaC17H26O11
  • Average mass406.382 Da
  • Monoisotopic mass406.147522 Da
  • ChemSpider ID82964420

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4aR,5S,7R,7aR)-1-(β-L-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl acetate [ACD/IUPAC Name]
(1R,4aR,5S,7R,7aR)-1-(β-L-Glucopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,4aR,5S,7R,7aR)-1-(β-L-glucopyranosyloxy)-4a,5-dihydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1R,4aR,5S,7R,7aR)-7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methylcyclopenta[c]pyran-1-yl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.5±6.0 kJ/mol
Flash Point: 215.9±25.0 °C
Index of Refraction: 1.624
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.48
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement