ChemSpider 2D Image | N-Acetyl-L-tyrosylvalyl-L-alanyl-N~2~-6-quinolinyl-L-asparagine | C32H38N6O8

N-Acetyl-L-tyrosylvalyl-L-alanyl-N2-6-quinolinyl-L-asparagine

  • Molecular FormulaC32H38N6O8
  • Average mass634.680 Da
  • Monoisotopic mass634.275085 Da
  • ChemSpider ID57488343

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Asparagine, N-acetyl-L-tyrosylvalyl-L-alanyl-N2-6-quinolinyl- [ACD/Index Name]
N-Acetyl-L-tyrosylvalyl-L-alanyl-N2-6-chinolinyl-L-asparagin [German] [ACD/IUPAC Name]
N-Acétyl-L-tyrosylvalyl-L-alanyl-N2-6-quinoléinyl-L-asparagine [French] [ACD/IUPAC Name]
N-Acetyl-L-tyrosylvalyl-L-alanyl-N2-6-quinolinyl-L-asparagine [ACD/IUPAC Name]
(2S)-3-CARBAMOYL-2-[(2S)-2-[(2S)-2-[(2S)-2-ACETAMIDO-3-(4-HYDROXYPHENYL)PROPANAMIDO]-3-METHYLBUTANAMIDO]-N-(QUINOLIN-6-YL)PROPANAMIDO]PROPANOIC 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: 1058.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.4±3.0 kJ/mol
Flash Point: 594.1±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 473.7±3.0 cm3

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