ChemSpider 2D Image | 1-O-[(5beta,6beta,8alpha,9beta,10alpha,13alpha)-6,9-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-beta-D-glucopyranose | C26H38O10

1-O-[(5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID28425433

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

1-O-[(5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15,18-dioxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,3R,4S,5R,9R,10R,13R)-3,10-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
81263-98-1 [RN]
CID 98049796
copyranosyl ester
ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 234.7±26.4 °C
Index of Refraction: 1.626
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.42
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 74.42
Polar Surface Area: 174 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 351.8±5.0 cm3

Click to predict properties on the Chemicalize site


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