ChemSpider 2D Image | (6aR,8S,10aR,10bS)-4-Hydroxy-7,7,10a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydro-2H-benzo[f]isochromen-8-yl beta-D-glucopyranoside | C26H40O10

(6aR,8S,10aR,10bS)-4-Hydroxy-7,7,10a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydro-2H-benzo[f]isochromen-8-yl β-D-glucopyranoside

  • Molecular FormulaC26H40O10
  • Average mass512.590 Da
  • Monoisotopic mass512.262146 Da
  • ChemSpider ID9595772

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(6aR,8S,10aR,10bS)-4-Hydroxy-7,7,10a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydro-2H-benzo[f]isochromen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
(6aR,8S,10aR,10bS)-4-Hydroxy-7,7,10a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydro-2H-benzo[f]isochromen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(6aR,8S,10aR,10bS)-8-(β-D-glucopyranosyloxy)dodecahydro-4-hydroxy-7,7,10a-trimethyl-2H-naphtho[2,1-c]pyran-2-yl]- [ACD/Index Name]
β-D-Glucopyranoside de (6aR,8S,10aR,10bS)-4-hydroxy-7,7,10a-triméthyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodécahydro-2H-benzo[f]isochromén-8-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 241.6±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 37.42
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 37.42
Polar Surface Area: 155 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 368.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement