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-(4-morpholinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide | C36H48N2O10

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-(4-morpholinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

  • Molecular FormulaC36H48N2O10
  • Average mass668.774 Da
  • Monoisotopic mass668.330872 Da
  • ChemSpider ID67970714

  • 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-3-methyl-N-[2-(4-morpholinyl)ethyl]-1,7-dioxo-β-(3,4,5-trimethoxyphenyl)-, (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-(4-morpholinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)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-(4-morpholinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)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-(4-morpholinyl)éthyl]-3-(3,4,5-triméthoxyphényl)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: 928.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 515.6±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 178.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 30.68
ACD/KOC (pH 5.5): 204.34
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 94.60
ACD/KOC (pH 7.4): 630.10
Polar Surface Area: 153 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 561.1±3.0 cm3

Click to predict properties on the Chemicalize site


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