ChemSpider 2D Image | 3-[(3S,11E)-14,16-Dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]propanamide | C34H44N2O8

3-[(3S,11E)-14,16-Dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]propanamide

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID79742984

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1H-2-Benzoxacyclotetradecin-15-propanamide, 3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-β-(4-methoxyphenyl)-3-methyl-N-[2-(4-morpholinyl)ethyl]-1,7-dioxo-, (3S,11E)- [ACD/Index Name]
3-[(3S,11E)-14,16-Dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-[(3S,11E)-14,16-Dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]propanamide [ACD/IUPAC Name]
3-[(3S,11E)-14,16-Dihydroxy-3-méthyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotétradécin-15-yl]-3-(4-méthoxyphényl)-N-[2-(4-morpholinyl)éthyl]propanamide [French] [ACD/IUPAC 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: 895.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 495.2±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 165.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 54.08
ACD/KOC (pH 5.5): 306.04
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 196.75
ACD/KOC (pH 7.4): 1113.35
Polar Surface Area: 135 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 513.0±3.0 cm3

Click to predict properties on the Chemicalize site


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