ChemSpider 2D Image | (2R,2'S)-5,5',6,6',8,8'-Hexahydroxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione | C28H22O10

(2R,2'S)-5,5',6,6',8,8'-Hexahydroxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione

  • Molecular FormulaC28H22O10
  • Average mass518.468 Da
  • Monoisotopic mass518.121277 Da
  • ChemSpider ID58840985

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'S)-5,5',6,6',8,8'-Hexahydroxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,2'S)-5,5',6,6',8,8'-Hexahydroxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione [ACD/IUPAC Name]
(2R,2'S)-5,5',6,6',8,8'-Hexahydroxy-2,2'-diméthyl-2,2',3,3'-tétrahydro-4H,4'H-9,9'-bibenzo[g]chromène-4,4'-dione [French] [ACD/IUPAC Name]
[9,9'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-, (2R,2'S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 796.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 271.0±26.4 °C
Index of Refraction: 1.779
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

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