ChemSpider 2D Image | (3beta,5beta,9xi)-3,14,20-Trihydroxy-6-oxocholest-7-en-25-yl beta-D-threo-hexopyranoside | C33H54O10

(3β,5β,9ξ)-3,14,20-Trihydroxy-6-oxocholest-7-en-25-yl β-D-threo-hexopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID28286192

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5β,9ξ)-3,14,20-Trihydroxy-6-oxocholest-7-en-25-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
(3β,5β,9ξ)-3,14,20-Trihydroxy-6-oxocholest-7-en-25-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 25-(β-D-threo-hexopyranosyloxy)-3,14,20-trihydroxy-, (3β,5β,9ξ)- [ACD/Index Name]
β-D-thréo-Hexopyranoside de (3β,5β,9ξ)-3,14,20-trihydroxy-6-oxocholest-7-én-25-yle [French] [ACD/IUPAC Name]
2,22-dideoxy-20-hydroxyecdysone 25-O-b-D-glucopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 246.4±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 67.06
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 67.06
Polar Surface Area: 177 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 463.7±5.0 cm3

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