ChemSpider 2D Image | 7-Deoxygardoside metyl ester tetraacetate | C25H32O13

7-Deoxygardoside metyl ester tetraacetate

  • Molecular FormulaC25H32O13
  • Average mass540.514 Da
  • Monoisotopic mass540.184265 Da
  • ChemSpider ID391582

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aS,7aS)-7-Méthylène-1-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
7-Deoxygardoside metyl ester tetraacetate
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-methylene-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester, (1S,4aS,7aS)- [ACD/Index Name]
Methyl (1S,4aS,7aS)-7-methylene-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,7aS)-7-methylen-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]

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

C11665 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 249.1±30.2 °C
Index of Refraction: 1.527
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.63
ACD/KOC (pH 5.5): 440.14
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.63
ACD/KOC (pH 7.4): 440.14
Polar Surface Area: 159 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

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