ChemSpider 2D Image | (2alpha,3beta,5alpha)-2-Hydroxyspirostan-3-yl D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside | C44H72O18

(2α,3β,5α)-2-Hydroxyspirostan-3-yl D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside

  • Molecular FormulaC44H72O18
  • Average mass889.032 Da
  • Monoisotopic mass888.471863 Da
  • ChemSpider ID28286423

  • defined stereocentres - 25 of 27 defined stereocentres

More details:

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(2α,3β,5α)-2-Hydroxyspirostan-3-yl D-xylopyranosyl-(1->;2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside [ACD/IUPAC Name]
(2α,3β,5α)-2-Hydroxyspirostan-3-yl-D-xylopyranosyl-(1->;2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
D-Xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside de (2α,3β,5α)-2-hydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (2α,3β,5α)-2-hydroxyspirostan-3-yl O-D-xylopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->4)- [ACD/Index Name]
(25R)-2b-hydroxy-5a-spirostan-3b-yl

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: 1.627
Molar Refractivity: 216.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.53
ACD/KOC (pH 5.5): 438.89
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.53
ACD/KOC (pH 7.4): 438.89
Polar Surface Area: 276 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 609.6±5.0 cm3

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