ChemSpider 2D Image | (3alpha,5beta,11beta,17alpha)-17-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-11,17-dihydroxyandrostan-3-yl beta-D-glucopyranosiduronic acid | C30H48O11

(3α,5β,11β,17α)-17-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-11,17-dihydroxyandrostan-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC30H48O11
  • Average mass584.695 Da
  • Monoisotopic mass584.319641 Da
  • ChemSpider ID57262492

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3α,5β,11β,17α)-17-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-11,17-dihydroxyandrostan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α,5β,11β,17α)-17-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-11,17-dihydroxyandrostan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3α,5β,11β,17α)-17-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]-11,17-dihydroxyandrostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3α,5β,11β,17α)-17-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-11,17-dihydroxyandrostan-3-yl [ACD/Index Name]
5β-PREGNAN-3α, 11β, 17α, 20β, 21-PENTOL-3β-D-GLUCURONIDE-20 21-ACETONIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 240.4±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 419.7±5.0 cm3

Click to predict properties on the Chemicalize site


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