ChemSpider 2D Image | (2beta,3beta,5beta,9xi,17xi,22R)-2,3,14,22,25-Pentahydroxy-6-oxocholest-7-en-20-yl beta-D-galactopyranoside | C33H54O12

(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,22,25-Pentahydroxy-6-oxocholest-7-en-20-yl β-D-galactopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID4884659
  • defined stereocentres - 13 of 15 defined stereocentres


More details:






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

(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,22,25-Pentahydroxy-6-oxocholest-7-en-20-yl β-D-galactopyranoside [ACD/IUPAC Name]
(2β,3β,5β,9ξ,17ξ,22R)-2,3,14,22,25-Pentahydroxy-6-oxocholest-7-en-20-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 20-(β-D-galactopyranosyloxy)-2,3,14,22,25-pentahydroxy-, (2β,3β,5β,9ξ,17ξ,22R)- [ACD/Index Name]
β-D-Galactopyranoside de (2β,3β,5β,9ξ,17ξ,22R)-2,3,14,22,25-pentahydroxy-6-oxocholest-7-én-20-yle [French] [ACD/IUPAC Name]
Ecdysterone-22-O-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 847.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.1±6.0 kJ/mol
Flash Point: 264.7±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.84
Polar Surface Area: 218 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 459.3±5.0 cm3

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