ChemSpider 2D Image | N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-O-[N-[(1,1-dimethylethoxy)carbonyl]glycyl]-L-serine | C27H33N3O9

N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-O-[N-[(1,1-dimethylethoxy)carbonyl]glycyl]-L-serine

  • Molecular FormulaC27H33N3O9
  • Average mass543.566 Da
  • Monoisotopic mass543.221680 Da
  • ChemSpider ID59001519

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1380521-30-1 [RN]
L-Serine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-O-[2-[[(1,1-dimethylethoxy)carbonyl]amino]acetyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-phenylalanyl-O-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-L-serin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-phenylalanyl-O-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]-L-serine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-phénylalanyl-O-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétyl]-L-sérine [French] [ACD/IUPAC Name]
N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-O-[N-[(1,1-dimethylethoxy)carbonyl]glycyl]-L-serine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 804.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

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