ChemSpider 2D Image | (5R)-2,3-Dideoxy-4-O-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-2,3-diformyl-5-methyl-beta-D-ribopyranosyl-(1->4)-beta-D-allopyranosyl-(1->4)-6-deoxy-beta-D-gulopyranose | C35H40O19

(5R)-2,3-Dideoxy-4-O-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-2,3-diformyl-5-methyl-β-D-ribopyranosyl-(1->4)-β-D-allopyranosyl-(1->4)-6-deoxy-β-D-gulopyranose

  • Molecular FormulaC35H40O19
  • Average mass764.681 Da
  • Monoisotopic mass764.216370 Da
  • ChemSpider ID4884846

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(5R)-2,3-Dideoxy-4-O-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-2,3-diformyl-5-methyl-β-D-ribopyranosyl-(1->4)-β-D-allopyranosyl-(1->4)-6-deoxy-β-D-gulopyranose [ACD/IUPAC Name]
(5R)-2,3-Didesoxy-4-O-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-2,3-diformyl-5-methyl-β-D-ribopyranosyl-(1->4)-β-D-allopyranosyl-(1->4)-6-desoxy-β-D-gulopyranose [German] [ACD/IUPAC Name]
(5R)-2,3-Didésoxy-4-O-[5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yl]-2,3-diformyl-5-méthyl-β-D-ribopyranosyl-(1->4)-β-D-allopyranosyl-(1->4)-6-désoxy-β-D-gulopyranose [French] [ACD/IUPAC Name]
β-D-Gulopyranose, O(5R)-2,3-dideoxy-4-O-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]-2,3-diformyl-5-C-methyl-β-D-ribopyranosyl-(1->4)-O-β-D-allopyranosyl-(1->4)-6-deoxy- [ACD/Index Name]
Kaempferol-3-O-lysimachiatrioside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1043.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.9±3.0 kJ/mol
Flash Point: 325.9±27.8 °C
Index of Refraction: 1.699
Molar Refractivity: 175.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.94
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 298 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 100.6±5.0 dyne/cm
Molar Volume: 455.3±5.0 cm3

Click to predict properties on the Chemicalize site


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