ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,16xi,17xi,22R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-beta-D-glucopyranosyl-alpha-D-galactopyranoside | C45H76O19

(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,22R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-α-D-galactopyranoside

  • Molecular FormulaC45H76O19
  • Average mass921.073 Da
  • Monoisotopic mass920.498108 Da
  • ChemSpider ID10142338

  • defined stereocentres - 17 of 27 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,22R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl-α-D-galactopyranoside [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,22R)-26-(β-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl-2-O-β-D-glucopyranosyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-α-D-galactopyranoside de (8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,22R)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, (8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,22β)-26-(β-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(25S)-26-O-β-D-Glucopyranosyl-22-hydroxy-5β-furostane-3β,26-diol 3-O-β-D-glucopyranosyl-(1-->;2)-O-β-D-galactopyranoside

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

Click to predict properties on the Chemicalize site


Advertisement