ChemSpider 2D Image | (2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bichromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate) | C44H34O20

(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bichromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC44H34O20
  • Average mass882.729 Da
  • Monoisotopic mass882.164368 Da
  • ChemSpider ID7987201

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bichromen-3,3'-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bichromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (2R,2'R,3R,3'R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-5,5',7,7'-tetrahydroxy[6,6'-bi-2H-1-benzopyran]-3,3'-diyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de (2R,2'R,3R,3'R)-2,2'-bis(3,4-dihydroxyphényl)-5,5',7,7'-tétrahydroxy-3,3',4,4'-tétrahydro-2H,2'H-6,6'-bichromène-3,3'-diyle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1272.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.0±3.0 kJ/mol
Flash Point: 385.4±27.8 °C
Index of Refraction: 1.918
Molar Refractivity: 211.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 260.23
ACD/KOC (pH 5.5): 1862.65
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 243.12
ACD/KOC (pH 7.4): 1740.23
Polar Surface Area: 354 Å2
Polarizability: 83.9±0.5 10-24cm3
Surface Tension: 171.3±5.0 dyne/cm
Molar Volume: 448.8±5.0 cm3

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