ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,20xi)-2-Hydroxyspirostan-3-yl beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside | C45H74O19

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-2-Hydroxyspirostan-3-yl β-D-glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID4885228
  • defined stereocentres - 19 of 28 defined stereocentres


More details:






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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-2-Hydroxyspirostan-3-yl β-D-glucopyranosyl-(1->;2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-2-Hydroxyspirostan-3-yl-β-D-glucopyranosyl-(1->;2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-2-hydroxyspirostan-3-yl O-β-D-glucopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->4)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-2-hydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
(25R,S)-5α-Spirostane-2α,3β-diol 3-O-[O-β-D-glucopyranosyl-(1-->2)-O-β-D-glucopyranosyl-(1-->4)-β-D-galactopyranoside]

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

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: 0.59
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.99
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.99
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

Click to predict properties on the Chemicalize site






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