ChemSpider 2D Image | (1S,4aS,5R,7S,7aR)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl alpha-D-glucopyranoside | C15H24O10

(1S,4aS,5R,7S,7aR)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl α-D-glucopyranoside

  • Molecular FormulaC15H24O10
  • Average mass364.345 Da
  • Monoisotopic mass364.136932 Da
  • ChemSpider ID23303172

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4aS,5R,7S,7aR)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl α-D-glucopyranoside [ACD/IUPAC Name]
(1S,4aS,5R,7S,7aR)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de (1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1S,4aS,5R,7S,7aR)-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl [ACD/Index Name]
(1S,4aS,5R,7S,7aR)-7-methyl-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4a,5,7-triol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL430183/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 637.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 339.1±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -3.69
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 96.5±5.0 dyne/cm
Molar Volume: 219.0±5.0 cm3

Click to predict properties on the Chemicalize site


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