ChemSpider 2D Image | (2R)-3-(7-Carbamimidoyl-2-naphthyl)-2-(4-{[(3S)-1-ethanimidoyl-3-pyrrolidinyl]oxy}phenyl)propanoic acid | C26H28N4O3

(2R)-3-(7-Carbamimidoyl-2-naphthyl)-2-(4-{[(3S)-1-ethanimidoyl-3-pyrrolidinyl]oxy}phenyl)propanoic acid

  • Molecular FormulaC26H28N4O3
  • Average mass444.526 Da
  • Monoisotopic mass444.216156 Da
  • ChemSpider ID23117666

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-(7-Carbamimidoyl-2-naphthyl)-2-(4-{[(3S)-1-ethanimidoyl-3-pyrrolidinyl]oxy}phenyl)propanoic acid [ACD/IUPAC Name]
(2R)-3-(7-Carbamimidoyl-2-naphthyl)-2-(4-{[(3S)-1-ethanimidoyl-3-pyrrolidinyl]oxy}phenyl)propansäure [German] [ACD/IUPAC Name]
2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, (αR)- [ACD/Index Name]
Acide (2R)-3-(7-carbamimidoyl-2-naphtyl)-2-(4-{[(3S)-1-ethanimidoyl-3-pyrrolidinyl]oxy}phényl)propanoïque [French] [ACD/IUPAC Name]
(2R)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxy}phenyl)propanoic acid
(R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1-imino-ethyl)-pyrrolidin-3-yloxy]-phenyl}-propionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.6±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 338.0±7.0 cm3

Click to predict properties on the Chemicalize site


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