ChemSpider 2D Image | (3S)-13-Chloro-14-hydroxy-16-methoxy-3-methyl-4,5,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,6,11(3H,12H)-trione | C19H23ClO6

(3S)-13-Chloro-14-hydroxy-16-methoxy-3-methyl-4,5,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,6,11(3H,12H)-trione

  • Molecular FormulaC19H23ClO6
  • Average mass382.835 Da
  • Monoisotopic mass382.118317 Da
  • ChemSpider ID58117421

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-13-Chlor-14-hydroxy-16-methoxy-3-methyl-4,5,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,6,11(3H,12H)-trion [German] [ACD/IUPAC Name]
(3S)-13-Chloro-14-hydroxy-16-methoxy-3-methyl-4,5,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,6,11(3H,12H)-trione [ACD/IUPAC Name]
(3S)-13-Chloro-14-hydroxy-16-méthoxy-3-méthyl-4,5,7,8,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,6,11(3H,12H)-trione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,6,11(3H,12H)-trione, 13-chloro-4,5,7,8,9,10-hexahydro-14-hydroxy-16-methoxy-3-methyl-, (3S)- [ACD/Index Name]
8,9-dihydrogreensporone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 45.37
ACD/KOC (pH 5.5): 505.15
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 34.28
Polar Surface Area: 90 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 313.1±3.0 cm3

Click to predict properties on the Chemicalize site


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