ChemSpider 2D Image | (1S,13S,16S)-6-Chloro-7-hydroxy-9-methoxy-13-methyl-12,19-dioxatricyclo[14.2.1.0~5,10~]nonadeca-5,7,9-triene-3,11-dione | C19H23ClO6

(1S,13S,16S)-6-Chloro-7-hydroxy-9-methoxy-13-methyl-12,19-dioxatricyclo[14.2.1.05,10]nonadeca-5,7,9-triene-3,11-dione

  • Molecular FormulaC19H23ClO6
  • Average mass382.835 Da
  • Monoisotopic mass382.118317 Da
  • ChemSpider ID58117425

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,13S,16S)-6-Chlor-7-hydroxy-9-methoxy-13-methyl-12,19-dioxatricyclo[14.2.1.05,10]nonadeca-5,7,9-trien-3,11-dion [German] [ACD/IUPAC Name]
(1S,13S,16S)-6-Chloro-7-hydroxy-9-methoxy-13-methyl-12,19-dioxatricyclo[14.2.1.05,10]nonadeca-5,7,9-triene-3,11-dione [ACD/IUPAC Name]
(1S,13S,16S)-6-Chloro-7-hydroxy-9-méthoxy-13-méthyl-12,19-dioxatricyclo[14.2.1.05,10]nonadéca-5,7,9-triène-3,11-dione [French] [ACD/IUPAC Name]
6,9-Epoxy-1H-2-benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,6,7,8,9,10-octahydro-14-hydroxy-16-methoxy-3-methyl-, (3S,6S,9S)- [ACD/Index Name]
Greensporone F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 331.0±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 93.81
ACD/KOC (pH 5.5): 852.90
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 61.41
Polar Surface Area: 82 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 306.4±3.0 cm3

Click to predict properties on the Chemicalize site


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