ChemSpider 2D Image | 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-18-oxo(17-~13~C,17,17-~2~H_2_)kaur-16-en-18-yl]-beta-D-glucopyranose | C3713CH58D2O17

1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxo(17-13C,17,17-2H2)kaur-16-en-18-yl]-β-D-glucopyranose

  • Molecular FormulaC3713CH58D2O17
  • Average mass791.878 Da
  • Monoisotopic mass791.398987 Da
  • ChemSpider ID107447532

  • defined stereocentres - 21 of 21 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxo(17-13C,17,17-2H2)kaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxo(17-13C,17,17-2H2)kaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-{[2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18-oxo(17-13C,17,17-2H2)kaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 188.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 527.6±5.0 cm3

Click to predict properties on the Chemicalize site


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