ChemSpider 2D Image | (1S,12R,13R,15R,16R,19S)-8,19-Dimethyl-14,17-dioxahexacyclo[13.3.1.0~1,11~.0~4,10~.0~9,13~.0~12,16~]nonadeca-4,7,9-triene-6,18-dione | C19H18O4

(1S,12R,13R,15R,16R,19S)-8,19-Dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione

  • Molecular FormulaC19H18O4
  • Average mass310.344 Da
  • Monoisotopic mass310.120514 Da
  • ChemSpider ID28285415

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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(1S,12R,13R,15R,16R,19S)-8,19-Dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-trien-6,18-dion [German] [ACD/IUPAC Name]
(1S,12R,13R,15R,16R,19S)-8,19-Dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione [ACD/IUPAC Name]
(1S,12R,13R,15R,16R,19S)-8,19-Diméthyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadéca-4,7,9-triène-6,18-dione [French] [ACD/IUPAC Name]
1H-3,10a-Methano-2,4-dioxacyclohepta[bc]cyclopent[jk]acenaphthylene-1,7(3H)-dione, 2a,4a,9,10,10b,10c-hexahydro-5,11-dimethyl-, (2aR,3R,4aR,10aS,10cR,11S)- [ACD/Index Name]
Harringtonolide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 270.5±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.98
ACD/KOC (pH 5.5): 264.30
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.98
ACD/KOC (pH 7.4): 264.30
Polar Surface Area: 53 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 218.1±5.0 cm3

Click to predict properties on the Chemicalize site


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