ChemSpider 2D Image | (3beta,5beta,8xi,9xi,14xi,16xi,17xi,25R)-26-(beta-D-Glucopyranosyloxy)-6-oxofurost-20(22)-en-3-yl 2-O-beta-D-glucopyranosyl-alpha-D-galactopyranoside | C45H72O19

(3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-6-oxofurost-20(22)-en-3-yl 2-O-β-D-glucopyranosyl-α-D-galactopyranoside

  • Molecular FormulaC45H72O19
  • Average mass917.042 Da
  • Monoisotopic mass916.466797 Da
  • ChemSpider ID4884559

  • defined stereocentres - 20 of 25 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-6-oxofurost-20(22)-en-3-yl 2-O-β-D-glucopyranosyl-α-D-galactopyranoside [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-Glucopyranosyloxy)-6-oxofurost-20(22)-en-3-yl-2-O-β-D-glucopyranosyl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-α-D-galactopyranoside de (3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)-26-(β-D-glucopyranosyloxy)-6-oxofurost-20(22)-én-3-yle [French] [ACD/IUPAC Name]
Furost-20(22)-en-6-one, 3-[(2-O-β-D-glucopyranosyl-α-D-galactopyranosyl)oxy]-26-(β-D-glucopyranosyloxy)-, (3β,5β,8ξ,9ξ,14ξ,16ξ,17ξ,25R)- [ACD/Index Name]
CTHD0233276-1

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1051.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.2±6.0 kJ/mol
Flash Point: 305.2±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 222.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.73
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.73
Polar Surface Area: 304 Å2
Polarizability: 88.1±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 624.3±5.0 cm3

Click to predict properties on the Chemicalize site


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