ChemSpider 2D Image | 3,4-Dihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulene-5,6(7H)-dione | C29H24O12

3,4-Dihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulene-5,6(7H)-dione

  • Molecular FormulaC29H24O12
  • Average mass564.494 Da
  • Monoisotopic mass564.126770 Da
  • ChemSpider ID8296006

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3,4-Dihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulen-5,6(7H)-dion [German] [ACD/IUPAC Name]
3,4-Dihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulene-5,6(7H)-dione [ACD/IUPAC Name]
3,4-Dihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl]-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)-5H-benzo[7]annulène-5,6(7H)-dione [French] [ACD/IUPAC Name]
5H-Benzocycloheptene-5,6(7H)-dione, 1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4-dihydroxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1025.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.9±3.0 kJ/mol
Flash Point: 343.4±27.8 °C
Index of Refraction: 1.792
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 49.56
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 214 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 107.2±3.0 dyne/cm
Molar Volume: 325.8±3.0 cm3

Click to predict properties on the Chemicalize site


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