ChemSpider 2D Image | 3,8-Dihydroxy-15,16,17-trimethoxy(8,10,10-~2~H_3_)tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one | C22H23D3O6

3,8-Dihydroxy-15,16,17-trimethoxy(8,10,10-2H3)tricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

  • Molecular FormulaC22H23D3O6
  • Average mass389.457 Da
  • Monoisotopic mass389.191772 Da
  • ChemSpider ID8723776

  • Non-standard isotope - Non-standard isotope

More details:

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

3,8-Dihydroxy-15,16,17-trimethoxy(8,10,10-2H3)tricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-on [German] [ACD/IUPAC Name]
3,8-Dihydroxy-15,16,17-trimethoxy(8,10,10-2H3)tricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one [ACD/IUPAC Name]
3,8-Dihydroxy-15,16,17-triméthoxy(8,10,10-2H3)tricyclo[12.3.1.12,6]nonadéca-1(18),2(19),3,5,14,16-hexaén-9-one [French] [ACD/IUPAC Name]
Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one-8,10,10-d3, 3,8-dihydroxy-15,16,17-trimethoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 216.2±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.52
ACD/KOC (pH 5.5): 543.59
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.85
ACD/KOC (pH 7.4): 535.79
Polar Surface Area: 85 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 318.7±3.0 cm3

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