ChemSpider 2D Image | Benzyl (S)-1-((2s,3s)-1-(3-(6-Amino-9h-Purin-9-Yl)propylamino)-2-Hydroxy-1-Oxopentan-3-Ylamino)-4-Methyl-1-Oxopentan-2-Ylcarbamate | C27H38N8O5

Benzyl (S)-1-((2s,3s)-1-(3-(6-Amino-9h-Purin-9-Yl)propylamino)-2-Hydroxy-1-Oxopentan-3-Ylamino)-4-Methyl-1-Oxopentan-2-Ylcarbamate

  • Molecular FormulaC27H38N8O5
  • Average mass554.641 Da
  • Monoisotopic mass554.296509 Da
  • ChemSpider ID25057636
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(2S)-1-{[(2S,3S)-1-{[3-(6-Amino-9H-purin-9-yl)propyl]amino}-2-hydroxy-1-oxo-3-pentanyl]amino}-4-méthyl-1-oxo-2-pentanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl (S)-1-((2s,3s)-1-(3-(6-Amino-9h-Purin-9-Yl)propylamino)-2-Hydroxy-1-Oxopentan-3-Ylamino)-4-Methyl-1-Oxopentan-2-Ylcarbamate
Benzyl [(2S)-1-{[(2S,3S)-1-{[3-(6-amino-9H-purin-9-yl)propyl]amino}-2-hydroxy-1-oxo-3-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-1-{[(2S,3S)-1-{[3-(6-amino-9H-purin-9-yl)propyl]amino}-2-hydroxy-1-oxo-3-pentanyl]amino}-4-methyl-1-oxo-2-pentanyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 40.72
ACD/KOC (pH 5.5): 483.18
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.92
ACD/KOC (pH 7.4): 521.23
Polar Surface Area: 186 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 409.8±7.0 cm3

Click to predict properties on the Chemicalize site






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