ChemSpider 2D Image | 13-Chloro-14,16-Dihydroxy-2-Methyl-2,3,4,5,9,10-Hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-Dione | C18H22ClNO4

13-Chloro-14,16-Dihydroxy-2-Methyl-2,3,4,5,9,10-Hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-Dione

  • Molecular FormulaC18H22ClNO4
  • Average mass351.825 Da
  • Monoisotopic mass351.123749 Da
  • ChemSpider ID35033991

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-13-Chlor-14,16-dihydroxy-2-methyl-3,4,5,8,9,10-hexahydro-2-benzazacyclotetradecin-1,11(2H,12H)-dion [German] [ACD/IUPAC Name]
(6Z)-13-Chloro-14,16-dihydroxy-2-methyl-3,4,5,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione [ACD/IUPAC Name]
(6Z)-13-Chloro-14,16-dihydroxy-2-méthyl-3,4,5,8,9,10-hexahydro-2-benzazacyclotétradécine-1,11(2H,12H)-dione [French] [ACD/IUPAC Name]
13-Chloro-14,16-Dihydroxy-2-Methyl-2,3,4,5,9,10-Hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-Dione
2-Benzazacyclotetradecine-1,11(2H,12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-14,16-dihydroxy-2-methyl-, (6Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 211.13
ACD/KOC (pH 5.5): 1562.24
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 23.64
ACD/KOC (pH 7.4): 174.93
Polar Surface Area: 78 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 284.3±3.0 cm3

Click to predict properties on the Chemicalize site


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