ChemSpider 2D Image | CSID:8549037 | C45H76O19

  • Molecular FormulaC45H76O19
  • Average mass921.073 Da
  • Monoisotopic mass920.498108 Da
  • ChemSpider ID8549037

  • defined stereocentres - 20 of 27 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,25S)-26-(D-Glucopyranosyloxy)-22-hydroxyfurostan-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,8ξ,9ξ,14ξ,16ξ,17ξ,25S)-26-(D-glucopyranosyloxy)-22-hydroxyfurostan-3-yle [French] [ACD/IUPAC 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: 1033.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.1±6.0 kJ/mol
Flash Point: 578.9±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 224.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.02
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.02
Polar Surface Area: 307 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 632.7±5.0 cm3

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