ChemSpider 2D Image | N~1~-{5-[(3-{[4-(beta-Alanylamino)butyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide | C27H47N7O6

N1-{5-[(3-{[4-(β-Alanylamino)butyl]amino}propyl)amino]pentyl}-N2-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide

  • Molecular FormulaC27H47N7O6
  • Average mass565.705 Da
  • Monoisotopic mass565.358765 Da
  • ChemSpider ID9159820

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Aspartamide, N1-[5-[[3-[[4-[(3-amino-1-oxopropyl)amino]butyl]amino]propyl]amino]pentyl]-N2-[2-(2,4-dihydroxyphenyl)acetyl]- [ACD/Index Name]
N1-{5-[(3-{[4-(β-Alanylamino)butyl]amino}propyl)amino]pentyl}-N2-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamid [German] [ACD/IUPAC Name]
N1-{5-[(3-{[4-(β-Alanylamino)butyl]amino}propyl)amino]pentyl}-N2-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide [ACD/IUPAC Name]
N1-{5-[(3-{[4-(β-Alanylamino)butyl]amino}propyl)amino]pentyl}-N2-[2-(2,4-dihydroxyphényl)acétyl]-L-aspartamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 979.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.7±3.0 kJ/mol
Flash Point: 546.4±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -6.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 473.0±3.0 cm3

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