ChemSpider 2D Image | (2beta,3beta,5beta,8xi,9xi,14xi,16xi,17xi,20xi)-3-{[2-O-(beta-D-Allopyranosyl)-beta-D-gulopyranosyl]oxy}-2,22-dihydroxyfurostan-26-yl beta-D-allopyranoside | C45H76O20

(2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-{[2-O-(β-D-Allopyranosyl)-β-D-gulopyranosyl]oxy}-2,22-dihydroxyfurostan-26-yl β-D-allopyranoside

  • Molecular FormulaC45H76O20
  • Average mass937.073 Da
  • Monoisotopic mass936.492981 Da
  • ChemSpider ID4884910
  • defined stereocentres - 20 of 28 defined stereocentres


More details:






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

(2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-{[2-O-(β-D-Allopyranosyl)-β-D-gulopyranosyl]oxy}-2,22-dihydroxyfurostan-26-yl β-D-allopyranoside [ACD/IUPAC Name]
(2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-{[2-O-(β-D-Allopyranosyl)-β-D-gulopyranosyl]oxy}-2,22-dihydroxyfurostan-26-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-{[2-O-(β-D-allopyranosyl)-β-D-gulopyranosyl]oxy}-2,22-dihydroxyfurostan-26-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (2β,3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-3-[(2-O-β-D-allopyranosyl-β-D-gulopyranosyl)oxy]-2,22-dihydroxyfurostan-26-yl [ACD/Index Name]
Macrostemonoside J

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1061.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.9±6.0 kJ/mol
Flash Point: 595.6±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 225.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.84
Polar Surface Area: 328 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 630.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement