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ChemSpider 2D Image | Methyl 1-[3-carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-4-piperidinecarboxylate | C27H30N4O5S

Methyl 1-[3-carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-4-piperidinecarboxylate

  • Molecular FormulaC27H30N4O5S
  • Average mass522.616 Da
  • Monoisotopic mass522.193665 Da
  • ChemSpider ID393921
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[3-Carbamimidoyl-N-(2-naphtylsulfonyl)-L-phénylalanyl]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2S)-3-[3-[(Z)-aminoiminomethyl]phenyl]-2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-, methyl ester [ACD/Index Name]
Methyl 1-[3-carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
methyl 1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-4-carboxylate
Methyl-1-[3-carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[(S)-3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sulfonylamino)-propionyl]-piperidine-4-carboxylic acid methyl ester
methyl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalene-2-sulfonamido)propanoyl]piperidine-4-carboxylate

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


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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.08
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.95
Polar Surface Area: 151 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 382.1±7.0 cm3

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