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Search term: 8968550 (Found by CSID)
ChemSpider 2D Image | cardinalin 3 | C32H30O10

cardinalin 3

  • Molecular FormulaC32H30O10
  • Average mass574.575 Da
  • Monoisotopic mass574.183899 Da
  • ChemSpider ID8968550

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,1'R,3S,3'S)-9,9'-Dihydroxy-7,7'-dimethoxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-5,5',10,10'-tetron [German] [ACD/IUPAC Name]
(1R,1'R,3S,3'S)-9,9'-Dihydroxy-7,7'-dimethoxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromene-5,5',10,10'-tetrone [ACD/IUPAC Name]
(1R,1'R,3S,3'S)-9,9'-Dihydroxy-7,7'-diméthoxy-1,1',3,3'-tétraméthyl-3,3',4,4'-tétrahydro-1H,1'H-8,8'-bibenzo[g]isochromène-5,5',10,10'-tétrone [French] [ACD/IUPAC Name]
[8,8'-Bi-1H-naphtho[2,3-c]pyran]-5,5',10,10'-tetrone, 3,3',4,4'-tetrahydro-9,9'-dihydroxy-7,7'-dimethoxy-1,1',3,3'-tetramethyl-, (1R,1'R,3S,3'S)- [ACD/Index Name]
cardinalin 3
Cardinalin-3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 270.4±27.8 °C
Index of Refraction: 1.666
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 974.79
ACD/KOC (pH 5.5): 2704.18
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 3.17
Polar Surface Area: 146 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 390.3±5.0 cm3

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