ChemSpider 2D Image | (2beta,3beta,5beta,9xi,14xi)-2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl beta-D-allopyranoside | C33H54O11

(2β,3β,5β,9ξ,14ξ)-2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl β-D-allopyranoside

  • Molecular FormulaC33H54O11
  • Average mass626.775 Da
  • Monoisotopic mass626.366638 Da
  • ChemSpider ID10145807
  • defined stereocentres - 12 of 15 defined stereocentres


More details:






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

(2β,3β,5β,9ξ,14ξ)-2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl β-D-allopyranoside [ACD/IUPAC Name]
(2β,3β,5β,9ξ,14ξ)-2,14,20,22-Tetrahydroxy-6-oxocholest-7-en-3-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3-(β-D-allopyranosyloxy)-2,14,20,22-tetrahydroxy-, (2β,3β,5β,9ξ,14ξ)- [ACD/Index Name]
β-D-Allopyranoside de (2β,3β,5β,9ξ,14ξ)-2,14,20,22-tétrahydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]
Ponasteroside A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 824.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 257.6±27.8 °C
Index of Refraction: 1.608
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.84
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.84
Polar Surface Area: 197 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 462.3±5.0 cm3

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