ChemSpider 2D Image | Methyl 2,4,5-trideoxy-5-(1H-imidazol-4-yl)-4-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}-L-threo-pentonate | C24H41N5O6

Methyl 2,4,5-trideoxy-5-(1H-imidazol-4-yl)-4-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}-L-threo-pentonate

  • Molecular FormulaC24H41N5O6
  • Average mass495.612 Da
  • Monoisotopic mass495.305695 Da
  • ChemSpider ID23135211

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,4,5-Tridésoxy-5-(1H-imidazol-4-yl)-4-{[N-(3-méthylbutanoyl)-L-valyl-L-valyl]amino}-L-thréo-pentonate de méthyle [French] [ACD/IUPAC Name]
L-threo-Pentonic acid, 2,4,5-trideoxy-5-(1H-imidazol-4-yl)-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2,4,5-trideoxy-5-(1H-imidazol-4-yl)-4-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}-L-threo-pentonate [ACD/IUPAC Name]
Methyl-2,4,5-tridesoxy-5-(1H-imidazol-4-yl)-4-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}-L-threo-pentonat [German] [ACD/IUPAC Name]
3-Hydroxy-5-(1H-imidazol-4-yl)-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 841.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 462.5±34.3 °C
Index of Refraction: 1.519
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 42.50
Polar Surface Area: 163 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 428.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement