ChemSpider 2D Image | 1-O-[(5xi,9xi)-3,28-Dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C36H56O8

1-O-[(5ξ,9ξ)-3,28-Dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID114928696

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

1-O-[(5ξ,9ξ)-3,28-Dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5ξ,9ξ)-3,28-Dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5ξ,9ξ)-3,28-Dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(5ξ,9ξ)-3,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Compound NP-019965

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 209.2±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85203.44
ACD/KOC (pH 5.5): 117706.59
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85202.31
ACD/KOC (pH 7.4): 117705.04
Polar Surface Area: 134 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 498.0±5.0 cm3

Click to predict properties on the Chemicalize site


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