ChemSpider 2D Image | (3alpha,5beta)-20-Oxopregnan-3-yl beta-D-glucopyranosiduronic acid | C27H42O8

(3α,5β)-20-Oxopregnan-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H42O8
  • Average mass494.618 Da
  • Monoisotopic mass494.287964 Da
  • ChemSpider ID77498427

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,5β)-20-Oxopregnan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α,5β)-20-Oxopregnan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3α,5β)-20-oxoprégnan-3-yle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3-(β-D-glucopyranuronosyloxy)-, (3α,5β)- [ACD/Index Name]
31329-54-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 216.8±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

Click to predict properties on the Chemicalize site


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