ChemSpider 2D Image | {4-[(2S)-3-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-2-{[5-(benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoyl]amino}-3-oxopropyl]phenoxy}acetic acid | C44H48N4O10

{4-[(2S)-3-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-2-{[5-(benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoyl]amino}-3-oxopropyl]phenoxy}acetic acid

  • Molecular FormulaC44H48N4O10
  • Average mass792.873 Da
  • Monoisotopic mass792.337036 Da
  • ChemSpider ID8570959

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{4-[(2S)-3-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-2-{[5-(benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoyl]amino}-3-oxopropyl]phenoxy}acetic acid [ACD/IUPAC Name]
{4-[(2S)-3-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-2-{[5-(benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoyl]amino}-3-oxopropyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
Acide {4-[(2S)-3-{[(2S)-1-amino-4-méthyl-1-oxo-2-pentanyl]amino}-2-{[5-(benzyloxy)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-5-oxopentanoyl]amino}-3-oxopropyl]phénoxy}acétique [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: 1069.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.3±3.0 kJ/mol
Flash Point: 600.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 212.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 41.52
ACD/KOC (pH 5.5): 110.92
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 212 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 620.0±3.0 cm3

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