ChemSpider 2D Image | (3beta,9xi,14xi,25S,26R)-26-[(6-Deoxy-alpha-D-mannopyranosyl)oxy]-6-oxo-22,26-epoxycholest-7-en-3-yl 2-O-(6-deoxy-D-mannopyranosyl)-D-glucopyranoside | C45H72O17

(3β,9ξ,14ξ,25S,26R)-26-[(6-Deoxy-α-D-mannopyranosyl)oxy]-6-oxo-22,26-epoxycholest-7-en-3-yl 2-O-(6-deoxy-D-mannopyranosyl)-D-glucopyranoside

  • Molecular FormulaC45H72O17
  • Average mass885.043 Da
  • Monoisotopic mass884.476929 Da
  • ChemSpider ID9586814

  • defined stereocentres - 20 of 26 defined stereocentres

More details:

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

(3β,9ξ,14ξ,25S,26R)-26-[(6-Deoxy-α-D-mannopyranosyl)oxy]-6-oxo-22,26-epoxycholest-7-en-3-yl 2-O-(6-deoxy-D-mannopyranosyl)-D-glucopyranoside [ACD/IUPAC Name]
(3β,9ξ,14ξ,25S,26R)-26-[(6-Desoxy-α-D-mannopyranosyl)oxy]-6-oxo-22,26-epoxycholest-7-en-3-yl-2-O-(6-desoxy-D-mannopyranosyl)-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-D-mannopyranosyl)-D-glucopyranoside de (3β,9ξ,14ξ,25S,26R)-26-[(6-désoxy-α-D-mannopyranosyl)oxy]-6-oxo-22,26-époxycholest-7-én-3-yle [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3-[[2-O-(6-deoxy-D-mannopyranosyl)-D-glucopyranosyl]oxy]-26-[(6-deoxy-α-D-mannopyranosyl)oxy]-22,26-epoxy-, (3β,9ξ,14ξ,25S,26R)- [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: 989.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.6±6.0 kJ/mol
Flash Point: 286.9±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 219.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.10
ACD/KOC (pH 5.5): 750.82
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.10
ACD/KOC (pH 7.4): 750.82
Polar Surface Area: 264 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 630.8±5.0 cm3

Click to predict properties on the Chemicalize site


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