ChemSpider 2D Image | (1S,4R,4aS,6S,7S,7aR)-4,6-Dihydroxy-4,7-dimethyloctahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside | C16H28O9

(1S,4R,4aS,6S,7S,7aR)-4,6-Dihydroxy-4,7-dimethyloctahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside

  • Molecular FormulaC16H28O9
  • Average mass364.388 Da
  • Monoisotopic mass364.173340 Da
  • ChemSpider ID28286650

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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(1S,4R,4aS,6S,7S,7aR)-4,6-Dihydroxy-4,7-dimethyloctahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,4aS,6S,7S,7aR)-4,6-Dihydroxy-4,7-dimethyloctahydrocyclopenta[c]pyran-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,4R,4aS,6S,7S,7aR)-4,6-dihydroxy-4,7-diméthyloctahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,4R,4aS,6S,7S,7aR)-octahydro-4,6-dihydroxy-4,7-dimethylcyclopenta[c]pyran-1-yl [ACD/Index Name]
adenosmoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 149 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 245.3±5.0 cm3

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