ChemSpider 2D Image | (3beta,5beta,6alpha,25S)-26-(beta-D-Glucopyranosyloxy)-5,6,22-trihydroxyfurostan-3-yl 4-O-(6-deoxy-beta-L-mannopyranosyl)-beta-D-glucopyranoside | C45H76O20

(3β,5β,6α,25S)-26-(β-D-Glucopyranosyloxy)-5,6,22-trihydroxyfurostan-3-yl 4-O-(6-deoxy-β-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC45H76O20
  • Average mass937.073 Da
  • Monoisotopic mass936.492981 Da
  • ChemSpider ID9345644
  • defined stereocentres - 27 of 28 defined stereocentres


More details:






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

(3β,5β,6α,25S)-26-(β-D-Glucopyranosyloxy)-5,6,22-trihydroxyfurostan-3-yl 4-O-(6-deoxy-β-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,6α,25S)-26-(β-D-Glucopyranosyloxy)-5,6,22-trihydroxyfurostan-3-yl-4-O-(6-desoxy-β-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-β-L-mannopyranosyl)-β-D-glucopyranoside de (3β,5β,6α,25S)-26-(β-D-glucopyranosyloxy)-5,6,22-trihydroxyfurostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5β,6α,25S)-26-(β-D-glucopyranosyloxy)-5,6,22-trihydroxyfurostan-3-yl 4-O-(6-deoxy-β-L-mannopyranosyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1038.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.9±6.0 kJ/mol
Flash Point: 581.8±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: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 328 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 82.1±5.0 dyne/cm
Molar Volume: 630.2±5.0 cm3

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