ChemSpider 2D Image | (15alpha)-3,17-Dioxoestr-4-en-15-yl beta-D-glucopyranosiduronic acid | C24H32O9

(15α)-3,17-Dioxoestr-4-en-15-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H32O9
  • Average mass464.505 Da
  • Monoisotopic mass464.204620 Da
  • ChemSpider ID24850124

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(15α)-3,17-Dioxoestr-4-en-15-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(15α)-3,17-Dioxoestr-4-en-15-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
131749-23-0 [RN]
Acide β-D-glucopyranosiduronique de (15α)-3,17-dioxoestr-4-én-15-yle [French] [ACD/IUPAC Name]
Estr-4-ene-3,17-dione, 15-(β-D-glucopyranuronosyloxy)-, (15α)- [ACD/Index Name]
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid
15-HNADG
15-Hydroxynorandrostene-3,17-dione glucuronide
15-Hydroxynorandrostene-3,17-dione glucuronoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.5±0.1 g/cm3
Boiling Point: 726.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 249.1±26.4 °C
Index of Refraction: 1.620
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 320.0±5.0 cm3

Click to predict properties on the Chemicalize site


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