ChemSpider 2D Image | 2'-(3,4-Dihydroxyphenyl)-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-3,8'-bichromen-7'-yl beta-D-glucopyranoside | C36H32O16

2'-(3,4-Dihydroxyphenyl)-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-3,8'-bichromen-7'-yl β-D-glucopyranoside

  • Molecular FormulaC36H32O16
  • Average mass720.630 Da
  • Monoisotopic mass720.169006 Da
  • ChemSpider ID409873

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

[3,8'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 2'-(3,4-dihydroxyphenyl)-7'-(β-D-glucopyranosyloxy)-5,5',7-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
2'-(3,4-Dihydroxyphenyl)-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-3,8'-bichromen-7'-yl β-D-glucopyranoside [ACD/IUPAC Name]
2'-(3,4-Dihydroxyphenyl)-5,5',7-trihydroxy-2-(4-hydroxyphenyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-3,8'-bichromen-7'-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2'-(3,4-dihydroxyphényl)-5,5',7-trihydroxy-2-(4-hydroxyphényl)-4,4'-dioxo-3,3',4,4'-tétrahydro-2H,2'H-3,8'-bichromén-7'-yle [French] [ACD/IUPAC Name]
Xanthochimuside

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

AIDS046014 [DBID]
AIDS-046014 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1100.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.4±3.0 kJ/mol
Flash Point: 349.2±27.8 °C
Index of Refraction: 1.749
Molar Refractivity: 174.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.29
ACD/KOC (pH 5.5): 294.64
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 27.94
Polar Surface Area: 273 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 97.2±3.0 dyne/cm
Molar Volume: 428.4±3.0 cm3

Click to predict properties on the Chemicalize site


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