ChemSpider 2D Image | (2R,3S)-2'-(3,4-Dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione | C30H20O12

(2R,3S)-2'-(3,4-Dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione

  • Molecular FormulaC30H20O12
  • Average mass572.473 Da
  • Monoisotopic mass572.095459 Da
  • ChemSpider ID24710891

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2'-(3,4-Dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,3S)-2'-(3,4-Dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2R,3S)-2'-(3,4-Dihydroxyphényl)-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphényl)-2,3-dihydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-3',5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-, (2R,3S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504190/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 941.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 315.7±27.8 °C
Index of Refraction: 1.819
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 264.24
ACD/KOC (pH 5.5): 1626.34
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 7.85
Polar Surface Area: 214 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 108.4±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

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