ChemSpider 2D Image | PD-173212 | C38H53N3O3

PD-173212

  • Molecular FormulaC38H53N3O3
  • Average mass599.846 Da
  • Monoisotopic mass599.408691 Da
  • ChemSpider ID32701793

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

217171-01-2 [RN]
L-Tyrosinamide, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-methyl-L-leucyl-Nα-(1,1-dimethylethyl)-O-(phenylmethyl)- [ACD/Index Name]
N-Methyl-N-[4-(2-methyl-2-propanyl)benzyl]-L-leucyl-O-benzyl-Nα-(2-methyl-2-propanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
N-Methyl-N-[4-(2-methyl-2-propanyl)benzyl]-L-leucyl-O-benzyl-Nα-(2-methyl-2-propanyl)-L-tyrosinamide [ACD/IUPAC Name]
N-Méthyl-N-[4-(2-méthyl-2-propanyl)benzyl]-L-leucyl-O-benzyl-Nα-(2-méthyl-2-propanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
PD-173212
Z7UUP5FPKC
UNII:Z7UUP5FPKC
UNII-Z7UUP5FPKC

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

Density: 1.1±0.1 g/cm3
Boiling Point: 718.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 388.1±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 180.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.39
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 27972.92
ACD/KOC (pH 5.5): 23610.13
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 399581.53
ACD/KOC (pH 7.4): 337260.91
Polar Surface Area: 76 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 562.5±3.0 cm3

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