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-(5-pyrimidinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate | C38H52N6O7

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

  • Molecular FormulaC38H52N6O7
  • Average mass704.856 Da
  • Monoisotopic mass704.389771 Da
  • ChemSpider ID26636756

  • 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-(5-pyrimidinyl)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-(5-pyrimidinyl)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-(5-pyrimidinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate [ACD/IUPAC 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-(5-pyrimidinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamat [German] [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: 942.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 523.8±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 193.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1213.43
ACD/KOC (pH 5.5): 5608.53
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1213.31
ACD/KOC (pH 7.4): 5607.95
Polar Surface Area: 181 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 600.8±3.0 cm3

Click to predict properties on the Chemicalize site


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