ChemSpider 2D Image | (3beta,5alpha,20S)-3,21-Diacetoxypregnan-20-yl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C38H56O14

(3β,5α,20S)-3,21-Diacetoxypregnan-20-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC38H56O14
  • Average mass736.843 Da
  • Monoisotopic mass736.367004 Da
  • ChemSpider ID9643099

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5α,20S)-3,21-Diacetoxypregnan-20-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,5α,20S)-3,21-Diacetoxypregnan-20-yl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,5α,20S)-3,21-bis(acetyloxy)pregnan-20-yl, methyl ester, triacetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 285.7±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 182.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 32160.75
ACD/KOC (pH 5.5): 58604.12
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 32160.75
ACD/KOC (pH 7.4): 58604.12
Polar Surface Area: 176 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 590.0±5.0 cm3

Click to predict properties on the Chemicalize site


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