ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C45H74O19

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID2343235

  • defined stereocentres - 20 of 26 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 4-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl-4-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-galactopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 4-O-β-D-glucopyranosyl- [ACD/Index Name]
(3η,25R)-26-(β-D-Glucopoyranosyloxy) -22-hydroxyfurost-5-en-3-yl-4-O-β-D-glucopyranosyl-β-D-galactopyranoside
145867-19-2 [RN]
178034-58-7 [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: 1043.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.8±6.0 kJ/mol
Flash Point: 584.9±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 223.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.88
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.88
Polar Surface Area: 307 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 625.3±5.0 cm3

Click to predict properties on the Chemicalize site


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