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

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

  • Molecular FormulaC19H23ClO6
  • Average mass382.835 Da
  • Monoisotopic mass382.118317 Da
  • ChemSpider ID59008148

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S,9Z)-13-Chlor-6,14-dihydroxy-16-methoxy-3-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclotetradecin-1,11(12H)-dion [German] [ACD/IUPAC Name]
(3S,6S,9Z)-13-Chloro-6,14-dihydroxy-16-methoxy-3-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione [ACD/IUPAC Name]
(3S,6S,9Z)-13-Chloro-6,14-dihydroxy-16-méthoxy-3-méthyl-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclotétradécine-1,11(12H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,6,7,8-hexahydro-6,14-dihydroxy-16-methoxy-3-methyl-, (3S,6S,9Z)- [ACD/Index Name]
Greensporone E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 58.18
ACD/KOC (pH 5.5): 604.18
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 4.00
ACD/KOC (pH 7.4): 41.56
Polar Surface Area: 93 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement