ChemSpider 2D Image | (1beta,3beta,22S,25R)-26-{[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-1,22-dihydroxyfurost-5-en-3-yl beta-D-glucopyranoside | C45H74O19

(1β,3β,22S,25R)-26-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-1,22-dihydroxyfurost-5-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID9506972
  • defined stereocentres - 27 of 27 defined stereocentres


More details:






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

(1β,3β,22S,25R)-26-{[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-1,22-dihydroxyfurost-5-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,22S,25R)-26-{[2-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-1,22-dihydroxyfurost-5-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,22S,25R)-26-{[2-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-1,22-dihydroxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,22α,25R)-26-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,22-dihydroxyfurost-5-en-3-yl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1040.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.3±6.0 kJ/mol
Flash Point: 583.0±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 223.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.71
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.71
Polar Surface Area: 307 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 625.9±5.0 cm3

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