ChemSpider 2D Image | (3beta,14beta,17alpha,20R)-14,20-Dihydroxypregn-5-en-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranoside | C34H56O12

(3β,14β,17α,20R)-14,20-Dihydroxypregn-5-en-3-yl 6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-galactopyranoside

  • Molecular FormulaC34H56O12
  • Average mass656.801 Da
  • Monoisotopic mass656.377197 Da
  • ChemSpider ID8969707

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(3β,14β,17α,20R)-14,20-Dihydroxypregn-5-en-3-yl 6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,14β,17α,20R)-14,20-Dihydroxypregn-5-en-3-yl-6-desoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-β-D-glucopyranosyl-3-O-méthyl-β-D-galactopyranoside de (3β,14β,17α,20R)-14,20-dihydroxyprégn-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,14β,17α,20R)-14,20-dihydroxypregn-5-en-3-yl 6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 803.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 439.5±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.89
ACD/KOC (pH 5.5): 123.89
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.89
ACD/KOC (pH 7.4): 123.89
Polar Surface Area: 188 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 484.8±5.0 cm3

Click to predict properties on the Chemicalize site


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