ChemSpider 2D Image | (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranoside | C45H74O19

(2α,3β,5α,25R)-2-Hydroxyspirostan-3-yl β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-galactopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID128439448
  • defined stereocentres - 28 of 28 defined stereocentres


More details:






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

(2α,3β,5α,25R)-2-Hydroxyspirostan-3-yl β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-galactopyranoside [ACD/IUPAC Name]
(2α,3β,5α,25R)-2-Hydroxyspirostan-3-yl-β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (2α,3β,5α,25R)-2-hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->3)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->3)-β-D-galactopyranoside de (2α,3β,5α,25R)-2-hydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4466316/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 222.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.57
ACD/KOC (pH 5.5): 236.68
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.57
ACD/KOC (pH 7.4): 236.67
Polar Surface Area: 296 Å2
Polarizability: 88.1±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 623.3±5.0 cm3

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