ChemSpider 2D Image | (8xi,9xi,14xi,22R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C45H74O19

(8ξ,9ξ,14ξ,22R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID153747

  • defined stereocentres - 21 of 26 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,22R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,22R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (8ξ,9ξ,14ξ,22R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (8ξ,9ξ,14ξ,22β)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-25(27)-en-3-yl 6-O-β-D-glucopyranosyl- [ACD/Index Name]
90850-94-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1040.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.2±6.0 kJ/mol
Flash Point: 582.8±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: 0.62
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.36
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.36
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

Click to predict properties on the Chemicalize site


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