ChemSpider 2D Image | 1-O-[(8alpha,13alpha)-13-{[2-O-(6-Deoxy-alpha-D-mannopyranosyl)-beta-L-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-beta-L-glucopyranose | C38H60O17

1-O-[(8α,13α)-13-{[2-O-(6-Deoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-L-glucopyranose

  • Molecular FormulaC38H60O17
  • Average mass788.873 Da
  • Monoisotopic mass788.383057 Da
  • ChemSpider ID82965024

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

1-O-[(8α,13α)-13-{[2-O-(6-Deoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-L-glucopyranose [ACD/IUPAC Name]
1-O-[(8α,13α)-13-{[2-O-(6-Desoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(8α,13α)-13-{[2-O-(6-Désoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-19-oxokaur-16-én-19-yl]-β-L-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: 928.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.2±6.0 kJ/mol
Flash Point: 279.6±27.8 °C
Index of Refraction: 1.635
Molar Refractivity: 188.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.41
ACD/KOC (pH 5.5): 410.15
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.41
ACD/KOC (pH 7.4): 410.15
Polar Surface Area: 275 Å2
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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