ChemSpider 2D Image | (9R,11R)-18-chloro-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-3,13-dione | C18H23ClO6

(9R,11R)-18-chloro-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-3,13-dione

  • Molecular FormulaC18H23ClO6
  • Average mass370.825 Da
  • Monoisotopic mass370.118317 Da
  • ChemSpider ID23338919

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-13-Chlor-5,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1,11(12H)-dion [German] [ACD/IUPAC Name]
(3R,5R)-13-Chloro-5,14,16-trihydroxy-3-méthyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotétradécine-1,11(12H)-dione [French] [ACD/IUPAC Name]
(3R,5R)-13-chloro-5,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione [ACD/IUPAC Name]
1H-2-benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,6,7,8,9,10-octahydro-5,14,16-trihydroxy-3-methyl-, (3R,5R)- [ACD/Index Name]
Hexahydroradicicol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491982/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 267.48
ACD/KOC (pH 5.5): 1820.60
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 18.67
ACD/KOC (pH 7.4): 127.09
Polar Surface Area: 104 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 288.0±3.0 cm3

Click to predict properties on the Chemicalize site


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