ChemSpider 2D Image | Ethyl 1-{N-[(1-carbamimidoyl-3-piperidinyl)methyl]-N~2~-(2-naphthylsulfonyl)-L-asparaginyl}-4-piperidinecarboxylate | C29H40N6O6S

Ethyl 1-{N-[(1-carbamimidoyl-3-piperidinyl)methyl]-N2-(2-naphthylsulfonyl)-L-asparaginyl}-4-piperidinecarboxylate

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID8569246

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-{N-[(1-Carbamimidoyl-3-pipéridinyl)méthyl]-N2-(2-naphtylsulfonyl)-L-asparaginyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2S)-4-[[[1-[(E)-aminoiminomethyl]-3-piperidinyl]methyl]amino]-2-[(2-naphthalenylsulfonyl)amino]-1,4-dioxobutyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{N-[(1-carbamimidoyl-3-piperidinyl)methyl]-N2-(2-naphthylsulfonyl)-L-asparaginyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{N-[(1-carbamimidoyl-3-piperidinyl)methyl]-N2-(2-naphthylsulfonyl)-L-asparaginyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 183 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 426.8±7.0 cm3

Click to predict properties on the Chemicalize site


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