ChemSpider 2D Image | (2beta,3beta,5beta,14xi,22R)-22-(alpha-D-Galactopyranosyloxy)-2,14,20,25-tetrahydroxy-6-oxocholest-7-en-3-yl alpha-D-galactopyranoside | C39H64O17

(2β,3β,5β,14ξ,22R)-22-(α-D-Galactopyranosyloxy)-2,14,20,25-tetrahydroxy-6-oxocholest-7-en-3-yl α-D-galactopyranoside

  • Molecular FormulaC39H64O17
  • Average mass804.915 Da
  • Monoisotopic mass804.414368 Da
  • ChemSpider ID170085

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

(2β,3β,5β,14ξ,22R)-22-(α-D-Galactopyranosyloxy)-2,14,20,25-tetrahydroxy-6-oxocholest-7-en-3-yl α-D-galactopyranoside [ACD/IUPAC Name]
(2β,3β,5β,14ξ,22R)-22-(α-D-Galactopyranosyloxy)-2,14,20,25-tetrahydroxy-6-oxocholest-7-en-3-yl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3,22-bis(α-D-galactopyranosyloxy)-2,14,20,25-tetrahydroxy-, (2β,3β,5β,14ξ,22R)- [ACD/Index Name]
α-D-Galactopyranoside de (2β,3β,5β,14ξ,22R)-22-(α-D-galactopyranosyloxy)-2,14,20,25-tétrahydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]
84699-93-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1032.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.9±6.0 kJ/mol
Flash Point: 309.9±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 195.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.32
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 542.8±5.0 cm3

Click to predict properties on the Chemicalize site


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