ChemSpider 2D Image | (3S)-2-[N-(2-Furoyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | C23H25N3O5

(3S)-2-[N-(2-Furoyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid

  • Molecular FormulaC23H25N3O5
  • Average mass423.462 Da
  • Monoisotopic mass423.179413 Da
  • ChemSpider ID26325293

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3r)-2-[n-(Furan-2-Ylcarbonyl)-L-Leucyl]-2,3,4,9-Tetrahydro-1h-β-Carboline-3-Carboxylic Acid
(3S)-2-[N-(2-Furoyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-β-carbolin-3-carbonsäure [German] [ACD/IUPAC Name]
(3S)-2-[N-(2-Furoyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-[(2S)-2-[(2-furanylcarbonyl)amino]-4-methyl-1-oxopentyl]-2,3,4,9-tetrahydro-, (3S)- [ACD/Index Name]
Acide (3S)-2-[N-(2-furoyl)-L-leucyl]-2,3,4,9-tétrahydro-1H-β-carboline-3-carboxylique [French] [ACD/IUPAC Name]
0ZC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 405.0±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 317.6±3.0 cm3

Click to predict properties on the Chemicalize site


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