ChemSpider 2D Image | (3beta,5beta)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C45H74O19

(3β,5β)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID20574328
  • defined stereocentres - 25 of 26 defined stereocentres


More details:






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

(3β,5β)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5β)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (3β,5β)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,5β)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1042.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.6±6.0 kJ/mol
Flash Point: 584.2±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 223.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.59
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.59
Polar Surface Area: 307 Å2
Polarizability: 88.7±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 627.3±5.0 cm3

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