ChemSpider 2D Image | Methyl (1S,4aS,6S,7R,7aS)-6-acetoxy-7-methyl-1-[(2,3,4-tri-O-acetyl-6-O-acryloyl-beta-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate | C28H36O15

Methyl (1S,4aS,6S,7R,7aS)-6-acetoxy-7-methyl-1-[(2,3,4-tri-O-acetyl-6-O-acryloyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC28H36O15
  • Average mass612.576 Da
  • Monoisotopic mass612.205444 Da
  • ChemSpider ID31121633

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4aS,6S,7R,7aS)-6-Acétoxy-7-méthyl-1-[(2,3,4-tri-O-acétyl-6-O-acryloyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-1-[[2,3,4-tri-O-acetyl-6-O-(1-oxo-2-propen-1-yl)-β-D-glucopyranosyl]oxy]-, methyl ester, (1S,4aS,6S,7R,7aS)- [ACD/Index Name]
Methyl (1S,4aS,6S,7R,7aS)-6-acetoxy-7-methyl-1-[(2,3,4-tri-O-acetyl-6-O-acryloyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,6S,7R,7aS)-6-acetoxy-7-methyl-1-[(2,3,4-tri-O-acetyl-6-O-acryloyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC 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: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 270.7±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.77
ACD/KOC (pH 5.5): 792.56
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.77
ACD/KOC (pH 7.4): 792.56
Polar Surface Area: 185 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 459.7±5.0 cm3

Click to predict properties on the Chemicalize site


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