ChemSpider 2D Image | Methyl {(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[4-(3-pyridinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate | C39H53N5O7

Methyl {(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[4-(3-pyridinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate

  • Molecular FormulaC39H53N5O7
  • Average mass703.867 Da
  • Monoisotopic mass703.394470 Da
  • ChemSpider ID26637332

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(5S,8S,10S,11S,14S)-8-Benzyl-10-hydroxy-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-11-[4-(3-pyridinyl)benzyl]-2-oxa-4,7,12-triazahexadécan-14-yl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,4S,5S,7S,10S)-1,10-bis(1,1-dimethylethyl)-5-hydroxy-2,9,12-trioxo-7-(phenylmethyl)-4-[[4-(3-pyridinyl)phenyl]methyl]-13-oxa-3,8,11-triazatetradec-1-yl]-, methyl ester [ACD/Index Name]
Methyl {(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[4-(3-pyridinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate [ACD/IUPAC Name]
Methyl N-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(Methoxycarbonylamino)-3,3-Dimethyl-Butanoyl]amino]-3-Oxidanyl-6-Phenyl-1-(4-Pyridin-3-Ylphenyl)hexan-2-Yl]amino]-3,3-Dimethyl-1-Oxidanylidene-Butan-2-Yl]carbamate
Methyl-{(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-11-[4-(3-pyridinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamat [German] [ACD/IUPAC Name]
LK0

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

Density: 1.2±0.1 g/cm3
Boiling Point: 935.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.7±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 194.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3111.39
ACD/KOC (pH 5.5): 10218.86
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4021.25
ACD/KOC (pH 7.4): 13207.15
Polar Surface Area: 168 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 607.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement