ChemSpider 2D Image | (3beta,5alpha,14beta)-14-Hydroxy-20-oxopregnan-3-yl 6-deoxy-4-O-beta-D-galactopyranosyl-3-O-methyl-beta-D-glucopyranoside | C34H56O12

(3β,5α,14β)-14-Hydroxy-20-oxopregnan-3-yl 6-deoxy-4-O-β-D-galactopyranosyl-3-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC34H56O12
  • Average mass656.801 Da
  • Monoisotopic mass656.377197 Da
  • ChemSpider ID81367665

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5α,14β)-14-Hydroxy-20-oxopregnan-3-yl 6-deoxy-4-O-β-D-galactopyranosyl-3-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,14β)-14-Hydroxy-20-oxopregnan-3-yl-6-desoxy-4-O-β-D-galactopyranosyl-3-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-β-D-galactopyranosyl-3-O-méthyl-β-D-glucopyranoside de (3β,5α,14β)-14-hydroxy-20-oxoprégnan-3-yle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3-[(6-deoxy-4-O-β-D-galactopyranosyl-3-O-methyl-β-D-glucopyranosyl)oxy]-14-hydroxy-, (3β,5α,14β)- [ACD/Index Name]
119767-17-8 [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: 790.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 243.1±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 165.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 70.92
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 70.92
Polar Surface Area: 185 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 491.2±5.0 cm3

Click to predict properties on the Chemicalize site


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