ChemSpider 2D Image | Methyl 4-[(N-{4-[(N-butyrylvalylvalyl)amino]-3-hydroxy-6-methylheptanoyl}alanyl)amino]-2,4,5-trideoxy-5-phenylpentonate | C37H61N5O9

Methyl 4-[(N-{4-[(N-butyrylvalylvalyl)amino]-3-hydroxy-6-methylheptanoyl}alanyl)amino]-2,4,5-trideoxy-5-phenylpentonate

  • Molecular FormulaC37H61N5O9
  • Average mass719.908 Da
  • Monoisotopic mass719.446899 Da
  • ChemSpider ID78444951

More details:

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

4-[(N-{4-[(N-Butyrylvalylvalyl)amino]-3-hydroxy-6-méthylheptanoyl}alanyl)amino]-2,4,5-tridésoxy-5-phénylpentonate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(N-{4-[(N-butyrylvalylvalyl)amino]-3-hydroxy-6-methylheptanoyl}alanyl)amino]-2,4,5-trideoxy-5-phenylpentonate [ACD/IUPAC Name]
Methyl-4-[(N-{4-[(N-butyrylvalylvalyl)amino]-3-hydroxy-6-methylheptanoyl}alanyl)amino]-2,4,5-tridesoxy-5-phenylpentonat [German] [ACD/IUPAC Name]
Pentonic acid, 2,4,5-trideoxy-4-[[6-hydroxy-2-methyl-10,13-bis(1-methylethyl)-7-(2-methylpropyl)-1,4,9,12,15-pentaoxo-3,8,11,14-tetraazaoctadec-1-yl]amino]-5-phenyl-, methyl ester [ACD/Index Name]
Ahpatinin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1018.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.8±3.0 kJ/mol
Flash Point: 569.6±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 192.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.28
ACD/KOC (pH 5.5): 454.76
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.28
ACD/KOC (pH 7.4): 454.75
Polar Surface Area: 212 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 632.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement