ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hexopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->6)hexopyranoside | C33H40O21

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hexopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->6)hexopyranoside

  • Molecular FormulaC33H40O21
  • Average mass772.658 Da
  • Monoisotopic mass772.206238 Da
  • ChemSpider ID22370469

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hexopyranosyl-(1->3)-6-deoxyhexopyranosyl-(1->6)hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-ylhexopyranosyl-(1->3)-6-desoxyhexopyranosyl-(1->6)hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[[O-hexopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->6)hexopyranosyl]oxy]-5,7-dihydroxy- [ACD/Index Name]
Hexopyranosyl-(1->3)-6-désoxyhexopyranosyl-(1->6)hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-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: 1.9±0.1 g/cm3
Boiling Point: 1149.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 177.6±3.0 kJ/mol
Flash Point: 360.3±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 417.7±5.0 cm3

Click to predict properties on the Chemicalize site


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