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]-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)propanamide | C30H37NO8

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]-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)propanamide

  • Molecular FormulaC30H37NO8
  • Average mass539.617 Da
  • Monoisotopic mass539.251892 Da
  • ChemSpider ID79742936

  • 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-N-(2-hydroxyethyl)-β-(4-methoxyphenyl)-3-methyl-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]-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)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]-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)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]-N-(2-hydroxyéthyl)-3-(4-méthoxyphényl)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: 875.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.6±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 514.65
ACD/KOC (pH 5.5): 3019.95
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 194.87
ACD/KOC (pH 7.4): 1143.49
Polar Surface Area: 142 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 446.0±3.0 cm3

Click to predict properties on the Chemicalize site


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