ChemSpider 2D Image | (3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-D-allothreonyl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide | C26H36N6O5S

(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-D-allothreonyl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide

  • Molecular FormulaC26H36N6O5S
  • Average mass544.666 Da
  • Monoisotopic mass544.246765 Da
  • ChemSpider ID28642466

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-D-allothreonyl]-2-pyrrolidinyl}methyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-D-allothreonyl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphtylsulfonyl)-D-allothréonyl]-2-pyrrolidinyl}méthyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-(aminoiminomethyl)-N-[[(2S)-1-[(2R,3R)-3-hydroxy-2-[(2-naphthalenylsulfonyl)amino]-1-oxobutyl]-2-pyrrolidinyl]methyl]-, (3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 372.3±7.0 cm3

Click to predict properties on the Chemicalize site


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