ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-O-benzyl-D-tyrosyl-L-threoninate | C35H43N3O8

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-O-benzyl-D-tyrosyl-L-threoninate

  • Molecular FormulaC35H43N3O8
  • Average mass633.731 Da
  • Monoisotopic mass633.304993 Da
  • ChemSpider ID5426979

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-O-(phenylmethyl)-D-tyrosyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-O-benzyl-D-tyrosyl-L-threoninate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-O-benzyl-D-tyrosyl-L-threoninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-phénylalanyl-O-benzyl-D-tyrosyl-L-thréoninate de méthyle [French] [ACD/IUPAC Name]

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

ZINC04016489 [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: 870.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.1±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2966.92
ACD/KOC (pH 5.5): 10643.18
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2966.11
ACD/KOC (pH 7.4): 10640.26
Polar Surface Area: 152 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 525.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement