ChemSpider 2D Image | Benzyl O-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}serylphenylalanylleucinate | C37H47N3O7

Benzyl O-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}serylphenylalanylleucinate

  • Molecular FormulaC37H47N3O7
  • Average mass645.785 Da
  • Monoisotopic mass645.341431 Da
  • ChemSpider ID339103

More details:

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

Benzyl O-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}serylphenylalanylleucinate [ACD/IUPAC Name]
BenzylO-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}serylphenylalanylleucinat [German] [ACD/IUPAC Name]
Leucine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)serylphenylalanyl-, phenylmethyl ester [ACD/Index Name]
O-Benzyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}sérylphénylalanylleucinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 9-benzyl-6-((benzyloxy)methyl)-12-isobutyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate

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

AIDS145544 [DBID]
AIDS-145544 [DBID]
NCI60_024772 [DBID]
NSC670360 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45710.91
ACD/KOC (pH 5.5): 75374.34
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45673.94
ACD/KOC (pH 7.4): 75313.37
Polar Surface Area: 132 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 559.8±3.0 cm3

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