ChemSpider 2D Image | Benzyl (2S)-2-(2-{[1-(N,N'-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-4-piperidinyl]oxy}ethyl)-1-piperidinecarboxylate | C31H48N4O7

Benzyl (2S)-2-(2-{[1-(N,N'-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-4-piperidinyl]oxy}ethyl)-1-piperidinecarboxylate

  • Molecular FormulaC31H48N4O7
  • Average mass588.735 Da
  • Monoisotopic mass588.352295 Da
  • ChemSpider ID9116165

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-{[1-(N,N'-Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-4-pipéridinyl]oxy}éthyl)-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 2-[2-[[1-[(Z)-[[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]-4-piperidinyl]oxy]ethyl]-, phenylmethyl ester, (2S)- [ACD/Index Name]
Benzyl (2S)-2-(2-{[1-(N,N'-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-4-piperidinyl]oxy}ethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-(2-{[1-(N,N'-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-4-piperidinyl]oxy}ethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 159.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3720.58
ACD/KOC (pH 5.5): 12301.19
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 689.46
ACD/KOC (pH 7.4): 2279.52
Polar Surface Area: 119 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 499.5±7.0 cm3

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