ChemSpider 2D Image | (8xi,9xi,14xi,16alpha)-1-(beta-D-Glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl alpha-D-galactopyranoside | C39H66O14

(8ξ,9ξ,14ξ,16α)-1-(β-D-Glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl α-D-galactopyranoside

  • Molecular FormulaC39H66O14
  • Average mass758.933 Da
  • Monoisotopic mass758.445251 Da
  • ChemSpider ID2331841

  • defined stereocentres - 15 of 21 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,16α)-1-(β-D-Glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl α-D-galactopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,16α)-1-(β-D-Glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranoside de (8ξ,9ξ,14ξ,16α)-1-(β-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-én-16-yle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, (8ξ,9ξ,14ξ,16α)-1-(β-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl [ACD/Index Name]
142735-55-5 [RN]
Alloside B
β-D-Galactopyranoside, (1-β,3-β,16-β,22S)-1-(β-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl

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

Density: 1.4±0.1 g/cm3
Boiling Point: 902.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.9±6.0 kJ/mol
Flash Point: 499.4±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 192.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 40.36
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 40.36
Polar Surface Area: 239 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 553.0±5.0 cm3

Click to predict properties on the Chemicalize site


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