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-quinolinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate (non-preferred name) | C43H55N5O7

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-quinolinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate (non-preferred name)

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID34535397
  • 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-quinoléinyl)benzyl]-2-oxa-4,7,12-triazahexadécan-14-yl}carbamate de méthyle (non-preferred name) [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-quinolinyl)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-quinolinyl)benzyl]-2-oxa-4,7,12-triazahexadecan-14-yl}carbamate (non-preferred name) [ACD/IUPAC Name]
Methyl-[(5S,8S,10S,11S,14S)-8-benzyl-11-[4-(3-chinolinyl)benzyl]-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-2-oxa-4,7,12-triazahexadecan-14-yl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 979.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.5±3.0 kJ/mol
Flash Point: 546.2±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 212.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19357.57
ACD/KOC (pH 5.5): 39475.73
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21556.54
ACD/KOC (pH 7.4): 43960.06
Polar Surface Area: 168 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 641.7±3.0 cm3

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