ChemSpider 2D Image | (E)-Ethyl 13-Chloro-14,16-Dihydroxy-1,11-Dioxo-1,2,3,4,7,8,9,10,11,12-Decahydrobenzo[c][1]azacyclotetradecine-10-Carboxylate | C20H26ClNO6

(E)-Ethyl 13-Chloro-14,16-Dihydroxy-1,11-Dioxo-1,2,3,4,7,8,9,10,11,12-Decahydrobenzo[c][1]azacyclotetradecine-10-Carboxylate

  • Molecular FormulaC20H26ClNO6
  • Average mass411.876 Da
  • Monoisotopic mass411.144867 Da
  • ChemSpider ID26325318

  • 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

(5E)-13-Chlor-10-[ethoxy(hydroxy)methyl]-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecin-1,11(2H,12H)-dion [German] [ACD/IUPAC Name]
(5E)-13-Chloro-10-[ethoxy(hydroxy)methyl]-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione [ACD/IUPAC Name]
(5E)-13-Chloro-10-[éthoxy(hydroxy)méthyl]-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotétradécine-1,11(2H,12H)-dione [French] [ACD/IUPAC Name]
(E)-Ethyl 13-Chloro-14,16-Dihydroxy-1,11-Dioxo-1,2,3,4,7,8,9,10,11,12-Decahydrobenzo[c][1]azacyclotetradecine-10-Carboxylate
2-Benzazacyclotetradecine-1,11(2H,12H)-dione, 13-chloro-10-(ethoxyhydroxymethyl)-3,4,7,8,9,10-hexahydro-14,16-dihydroxy-, (5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 86.18
ACD/KOC (pH 5.5): 818.94
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 8.32
ACD/KOC (pH 7.4): 79.11
Polar Surface Area: 116 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 325.3±3.0 cm3

Click to predict properties on the Chemicalize site


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