ChemSpider 2D Image | (3beta,9xi,14xi,17alpha,20S)-Cholest-5-en-3-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside | C35H59NO6

(3β,9ξ,14ξ,17α,20S)-Cholest-5-en-3-yl 2-acetamido-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC35H59NO6
  • Average mass589.846 Da
  • Monoisotopic mass589.434265 Da
  • ChemSpider ID17466475

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(3β,9ξ,14ξ,17α,20S)-Cholest-5-en-3-yl 2-acetamido-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,9ξ,14ξ,17α,20S)-Cholest-5-en-3-yl-2-acetamido-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranoside de (3β,9ξ,14ξ,17α,20S)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,9ξ,14ξ,17α,20S)-cholest-5-en-3-yl 2-(acetylamino)-2-deoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.1±6.0 kJ/mol
Flash Point: 396.8±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.45
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 175382.64
ACD/KOC (pH 5.5): 197343.03
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 175381.88
ACD/KOC (pH 7.4): 197342.17
Polar Surface Area: 108 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 515.0±5.0 cm3

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