ChemSpider 2D Image | (2R,2'R,3S,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2,2',3,3'-tetrahydro-4H,4'H-3,6'-bichromene-4,4'-dione | C30H22O13

(2R,2'R,3S,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2,2',3,3'-tetrahydro-4H,4'H-3,6'-bichromene-4,4'-dione

  • Molecular FormulaC30H22O13
  • Average mass590.488 Da
  • Monoisotopic mass590.106018 Da
  • ChemSpider ID58987159

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'R,3S,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2,2',3,3'-tetrahydro-4H,4'H-3,6'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,2'R,3S,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-2,2',3,3'-tetrahydro-4H,4'H-3,6'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2R,2'R,3S,3'R)-2,2'-Bis(3,4-dihydroxyphényl)-3',5,5',7,7'-pentahydroxy-2,2',3,3'-tétrahydro-4H,4'H-3,6'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,6'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 2,2'-bis(3,4-dihydroxyphenyl)-3',5,5',7,7'-pentahydroxy-, (2R,2'R,3S,3'R)- [ACD/Index 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: 1064.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.4±3.0 kJ/mol
Flash Point: 354.0±27.8 °C
Index of Refraction: 1.806
Molar Refractivity: 144.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 173.15
ACD/KOC (pH 5.5): 1367.04
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 13.43
ACD/KOC (pH 7.4): 106.04
Polar Surface Area: 235 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 109.0±3.0 dyne/cm
Molar Volume: 335.1±3.0 cm3

Click to predict properties on the Chemicalize site


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