ChemSpider 2D Image | (2alpha,5alpha,8xi,9xi,10xi,13xi,14xi,16xi,17xi)-2-Hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside | C45H74O19

(2α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-2-Hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID21781429
  • defined stereocentres - 4 of 28 defined stereocentres


More details:






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

(2α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-2-Hydroxyspirostan-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside [ACD/IUPAC Name]
(2α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-2-Hydroxyspirostan-3-ylhexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, (2α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-2-hydroxyspirostan-3-yl O-hexopyranosyl-(1->2)-O-hexopyranosyl-(1->4)- [ACD/Index Name]
Hexopyranosyl-(1->2)hexopyranosyl-(1->4)hexopyranoside de (2α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ)-2-hydroxyspirostan-3-yle [French] [ACD/IUPAC Name]

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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