ChemSpider 2D Image | N~2~-{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)propanoyl}-L-isoleucinamide | C34H44N2O8

N2-{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)propanoyl}-L-isoleucinamide

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID71292624

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-2-Benzoxacyclotetradecin-15-propanamide, N-[(1S,2S)-1-(aminocarbonyl)-2-methylbutyl]-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-β-(4-methoxyphenyl)-3-methyl-1,7-dioxo-, (3S,11E)- [ACD/Index Name]
N2-{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)propanoyl}-L-isoleucinamid [German] [ACD/IUPAC Name]
N2-{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)propanoyl}-L-isoleucinamide [ACD/IUPAC Name]
N2-{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)propanoyl}-L-isoleucinamide [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: 929.0±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: 1.554
Molar Refractivity: 165.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1562.30
ACD/KOC (pH 5.5): 6685.70
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 585.10
ACD/KOC (pH 7.4): 2503.86
Polar Surface Area: 165 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 516.0±3.0 cm3

Click to predict properties on the Chemicalize site


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