ChemSpider 2D Image | (3aR,4S,9R,9aR)-4-({4,6-O-[(1R)-Ethylidene]-beta-D-glucopyranosyl}oxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-6,7-diyl diacetate | C32H36O15

(3aR,4S,9R,9aR)-4-({4,6-O-[(1R)-Ethylidene]-β-D-glucopyranosyl}oxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-6,7-diyl diacetate

  • Molecular FormulaC32H36O15
  • Average mass660.619 Da
  • Monoisotopic mass660.205444 Da
  • ChemSpider ID31124284

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3aR,4S,9R,9aR)-4-({4,6-O-[(1R)-Ethyliden]-β-D-glucopyranosyl}oxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-6,7-diyl-diacetat [German] [ACD/IUPAC Name]
(3aR,4S,9R,9aR)-4-({4,6-O-[(1R)-Ethylidene]-β-D-glucopyranosyl}oxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-6,7-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3aR,4S,9R,9aR)-4-({4,6-O-[(1R)-éthylidène]-β-D-glucopyranosyl}oxy)-9-(4-hydroxy-3,5-diméthoxyphényl)-1-oxo-1,3,3a,4,9,9a-hexahydronaphto[2,3-c]furane-6,7-diyle [French] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 6,7-bis(acetyloxy)-4-[[4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-3a,4,9,9a-tetrahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4S,9R,9aR)- [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: 846.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 270.6±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.02
Polar Surface Area: 195 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 438.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement