ChemSpider 2D Image | (3beta,5alpha,22R)-14,20,22-Trihydroxy-6-oxocholestan-3-yl beta-D-allopyranoside | C33H56O10

(3β,5α,22R)-14,20,22-Trihydroxy-6-oxocholestan-3-yl β-D-allopyranoside

  • Molecular FormulaC33H56O10
  • Average mass612.792 Da
  • Monoisotopic mass612.387329 Da
  • ChemSpider ID78438084

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(3β,5α,22R)-14,20,22-Trihydroxy-6-oxocholestan-3-yl β-D-allopyranoside [ACD/IUPAC Name]
(3β,5α,22R)-14,20,22-Trihydroxy-6-oxocholestan-3-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
Cholestan-6-one, 3-(β-D-allopyranosyloxy)-14,20,22-trihydroxy-, (3β,5α,22R)- [ACD/Index Name]
β-D-Allopyranoside de (3β,5α,22R)-14,20,22-trihydroxy-6-oxocholestan-3-yle [French] [ACD/IUPAC Name]
Tenuifolioside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 239.6±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 74.48
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 74.48
Polar Surface Area: 177 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 472.0±5.0 cm3

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