ChemSpider 2D Image | (2S)-1-Ethoxy-1-oxo-3-phenyl-2-propanyl 2-({(2S)-1-[(2S)-2-{[(2S)-2-acetamidopropanoyl]amino}propanoyl]-2-pyrrolidinyl}carbonyl)-1-methylhydrazinecarboxylate (non-preferred name) | C26H37N5O8

(2S)-1-Ethoxy-1-oxo-3-phenyl-2-propanyl 2-({(2S)-1-[(2S)-2-{[(2S)-2-acetamidopropanoyl]amino}propanoyl]-2-pyrrolidinyl}carbonyl)-1-methylhydrazinecarboxylate (non-preferred name)

  • Molecular FormulaC26H37N5O8
  • Average mass547.601 Da
  • Monoisotopic mass547.264221 Da
  • ChemSpider ID34255177

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-1-Ethoxy-1-oxo-3-phenyl-2-propanyl 2-({(2S)-1-[(2S)-2-{[(2S)-2-acetamidopropanoyl]amino}propanoyl]-2-pyrrolidinyl}carbonyl)-1-methylhydrazinecarboxylate (non-preferred name) [ACD/IUPAC Name]
(2S)-1-Ethoxy-1-oxo-3-phenyl-2-propanyl-2-({(2S)-1-[(2S)-2-{[(2S)-2-acetamidopropanoyl]amino}propanoyl]-2-pyrrolidinyl}carbonyl)-1-methylhydrazincarboxylat (non-preferred name) [German] [ACD/IUPAC Name]
2-({(2S)-1-[(2S)-2-{[(2S)-2-Acétamidopropanoyl]amino}propanoyl]-2-pyrrolidinyl}carbonyl)-1-méthylhydrazinecarboxylate de (2S)-1-éthoxy-1-oxo-3-phényl-2-propanyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.546
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 90.91
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.82
ACD/KOC (pH 7.4): 90.86
Polar Surface Area: 163 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 437.1±3.0 cm3

Click to predict properties on the Chemicalize site


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