ChemSpider 2D Image | 7-(beta-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl beta-D-glycero-hexopyranoside | C32H38O16

7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl β-D-glycero-hexopyranoside

  • Molecular FormulaC32H38O16
  • Average mass678.635 Da
  • Monoisotopic mass678.216003 Da
  • ChemSpider ID24844459

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(β-D-glycero-hexopyranosyloxy)-7-(β-D-threo-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl β-D-glycero-hexopyranoside [ACD/IUPAC Name]
7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
β-D-glycéro-Hexopyranoside de 7-(β-D-thréo-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1015.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.3±3.0 kJ/mol
Flash Point: 324.1±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.45
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 104.3±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

Click to predict properties on the Chemicalize site


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