ChemSpider 2D Image | Benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-4-methyl-1-oxo-2-pentanyl}carbamate | C40H60N4O10

Benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-4-methyl-1-oxo-2-pentanyl}carbamate

  • Molecular FormulaC40H60N4O10
  • Average mass756.925 Da
  • Monoisotopic mass756.430969 Da
  • ChemSpider ID3738534

More details:

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

{1-[16-(2-{[(Benzyloxy)carbonyl]amino}-4-méthylpentanoyl)-1,4,10,13-tétraoxa-7,16-diazacyclooctadécan-7-yl]-4-méthyl-1-oxo-2-pentanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {1-[16-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-4-methyl-1-oxo-2-pentanyl}carbamate [ACD/IUPAC Name]
Benzyl-{1-[16-(2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-4-methyl-1-oxo-2-pentanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N,N'-[1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis[1-(2-methylpropyl)-2-oxo-2,1-ethanediyl]]bis-, bis(phenylmethyl) ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 903.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 500.5±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 202.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5950.38
ACD/KOC (pH 5.5): 17515.02
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5948.63
ACD/KOC (pH 7.4): 17509.85
Polar Surface Area: 154 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 673.7±3.0 cm3

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