ChemSpider 2D Image | (2R)-1-[3-Carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-2-piperidinecarboxylic acid | C26H28N4O5S

(2R)-1-[3-Carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-2-piperidinecarboxylic acid

  • Molecular FormulaC26H28N4O5S
  • Average mass508.589 Da
  • Monoisotopic mass508.178040 Da
  • ChemSpider ID393920

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-1-[3-Carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2R)-1-[3-Carbamimidoyl-N-(2-naphthylsulfonyl)-L-phenylalanyl]-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-3-[3-[(Z)-aminoiminomethyl]phenyl]-2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-, (2R)- [ACD/Index Name]
Acide (2R)-1-[3-carbamimidoyl-N-(2-naphtylsulfonyl)-L-phénylalanyl]-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
FD1
N-α-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID

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

DXA [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 442.8±37.1 °C
Index of Refraction: 1.681
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 162 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 357.7±7.0 cm3

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