ChemSpider 2D Image | Divaroside | C42H64O15

Divaroside

  • Molecular FormulaC42H64O15
  • Average mass808.949 Da
  • Monoisotopic mass808.424500 Da
  • ChemSpider ID10252028

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

6-O-β-D-Glucopyranosyl-1-O-{[(3S,3aS,4R,7aR,8aR,8bR,9R,11aS,13aR,13bR,13cS)-4-hydroxy-3,9-diisopropenyl-3a,13a,13b-trimethyl-6-oxooctadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepin-11a(1H)-yl]ca rbonyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-{[(3S,3aS,4R,7aR,8aR,8bR,9R,11aS,13aR,13bR,13cS)-4-hydroxy-3,9-diisopropenyl-3a,13a,13b-trimethyl-6-oxooctadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepin-11a(1H)-yl]ca rbonyl}-β-D-glucopyranose [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-1-O-{[(3S,3aS,4R,7aR,8aR,8bR,9R,11aS,13aR,13bR,13cS)-4-hydroxy-3,9-diisopropényl-3a,13a,13b-triméthyl-6-oxooctadécahydrocyclopenta[7,8]phénanthro[10,1-bc]oxépin-11a(1H)-yl]ca rbonyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
Divaroside
β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-1-O-[[(3S,3aS,4R,7aR,8aR,8bR,9R,11aS,13aR,13bR,13cS)-octadecahydro-4-hydroxy-3a,13a,13b-trimethyl-3,9-bis(1-methylethenyl)-6-oxocyclopenta[7,8]phenanthr o[10,1-bc]oxepin-11a(1H)-yl]carbonyl]- [ACD/Index 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: 916.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.2±6.0 kJ/mol
Flash Point: 270.0±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 202.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 21.01
ACD/KOC (pH 5.5): 307.80
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 21.01
ACD/KOC (pH 7.4): 307.79
Polar Surface Area: 242 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 583.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement