ChemSpider 2D Image | 1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-9-Hydroxy-15,18-dioxokaur-16-en-18-yl]-beta-D-glucopyranose | C26H38O9

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

  • Molecular FormulaC26H38O9
  • Average mass494.574 Da
  • Monoisotopic mass494.251587 Da
  • ChemSpider ID28424555

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-O-[(5β,8α,9β,10α,13α)-9-Hydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-9-Hydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-9-Hydroxy-15,18-dioxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
(4R,4aS,6aR,9R,11aR,11bR)-(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 11a-hydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
81263-96-9 [RN]
9-Hydroxy-15-oxokaur-16-en-19-oic acid ??-D-glucopyranosyl ester
9-Hydroxy-15-oxokaur-16-en-19-oic acid ?-D-glucopyranosyl ester
9-Hydroxy-15-oxokaur-16-en-19-oic acid β-D-glucopyranosyl ester
ent-9-Hydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester
MFCD20260836

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 221.9±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.79
ACD/KOC (pH 5.5): 227.67
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.79
ACD/KOC (pH 7.4): 227.66
Polar Surface Area: 154 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 354.0±5.0 cm3

Click to predict properties on the Chemicalize site


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