ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-threo-hexopyranosyl-(1->3)-[beta-D-threo-hexopyranosyl-(1->6)]-beta-D-threo-hexopyranoside | C33H40O21

3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranosyl-(1->3)-[β-D-threo-hexopyranosyl-(1->6)]-β-D-threo-hexopyranoside

  • Molecular FormulaC33H40O21
  • Average mass772.658 Da
  • Monoisotopic mass772.206238 Da
  • ChemSpider ID24844663

  • defined stereocentres - 9 of 15 defined stereocentres

More details:

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

3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranosyl-(1->3)-[β-D-threo-hexopyranosyl-(1->6)]-β-D-threo-hexopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-threo-hexopyranosyl-(1->3)-[β-D-threo-hexopyranosyl-(1->6)]-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[O-β-D-threo-hexopyranosyl-(1->3)-O-[β-D-threo-hexopyranosyl-(1->6)]-β-D-threo-hexopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
β-D-thréo-Hexopyranosyl-(1->3)-[β-D-thréo-hexopyranosyl-(1->6)]-β-D-thréo-hexopyranoside de 3,5-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-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: 1146.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 177.1±3.0 kJ/mol
Flash Point: 359.4±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
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: 130.0±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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