ChemSpider 2D Image | Benzyl L-seryl-L-asparaginyl-L-valyl-L-phenylalaninate | C28H37N5O7

Benzyl L-seryl-L-asparaginyl-L-valyl-L-phenylalaninate

  • Molecular FormulaC28H37N5O7
  • Average mass555.623 Da
  • Monoisotopic mass555.269287 Da
  • ChemSpider ID23240678
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Benzyl L-seryl-L-asparaginyl-L-valyl-L-phenylalaninate [ACD/IUPAC Name]
Benzyl-L-seryl-L-asparaginyl-L-valyl-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, L-seryl-L-asparaginyl-L-valyl-, phenylmethyl ester [ACD/Index Name]
L-Séryl-L-asparaginyl-L-valyl-L-phénylalaninate de benzyle [French] [ACD/IUPAC Name]
benzyl 2-{1-[1-(1-amino-2-hydroxyethylcarboxamido)-2-carbamoylethylcarboxamido]-2-methylpropylcarboxamido}-3-phenylpropanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 940.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 522.7±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.40
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.34
ACD/KOC (pH 7.4): 110.48
Polar Surface Area: 203 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 439.2±3.0 cm3

Click to predict properties on the Chemicalize site






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