ChemSpider 2D Image | Methyl (5R,6R)-8-({4,6-O-[(1R)-ethylidene]-beta-D-glucopyranosyl}oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate | C30H36O14

Methyl (5R,6R)-8-({4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl}oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID8136294

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(5R,6R)-8-({4,6-O-[(1R)-Éthylidène]-β-D-glucopyranosyl}oxy)-5-(4-hydroxy-3,5-diméthoxyphényl)-7-(hydroxyméthyl)-5,6,7,8-tétrahydronaphto[2,3-d][1,3]dioxole-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (5R,6R)-8-({4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl}oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate [ACD/IUPAC Name]
Methyl-(5R,6R)-8-({4,6-O-[(1R)-ethyliden]-β-D-glucopyranosyl}oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-carboxylat [German] [ACD/IUPAC Name]
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 8-[[4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-5,6,7,8-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-, methyl ester, (5R,6R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 249.7±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 64.95
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 64.82
Polar Surface Area: 181 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

Click to predict properties on the Chemicalize site


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