ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside | C33H40O20

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside

  • Molecular FormulaC33H40O20
  • Average mass756.659 Da
  • Monoisotopic mass756.211304 Da
  • ChemSpider ID24845043

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxyhexopyranosyl)-2-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-(6-desoxyhexopyranosyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxyhexopyranosyl)-2-O-[3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]hexopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-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: 1.8±0.1 g/cm3
Boiling Point: 1085.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.9±3.0 kJ/mol
Flash Point: 341.5±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.06
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 114.3±5.0 dyne/cm
Molar Volume: 427.9±5.0 cm3

Click to predict properties on the Chemicalize site


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