ChemSpider 2D Image | 4-[({2-[1-Acetoxy-4-methyl-3-({[(3-methylbutanoyl)oxy]methyl}{N-[(1-methyl-2-piperidinyl)carbonyl]isoleucyl}amino)pentyl]-1,3-thiazol-4-yl}carbonyl)amino]-2-methyl-5-phenylpentanoic acid | C43H65N5O9S

4-[({2-[1-Acetoxy-4-methyl-3-({[(3-methylbutanoyl)oxy]methyl}{N-[(1-methyl-2-piperidinyl)carbonyl]isoleucyl}amino)pentyl]-1,3-thiazol-4-yl}carbonyl)amino]-2-methyl-5-phenylpentanoic acid

  • Molecular FormulaC43H65N5O9S
  • Average mass828.069 Da
  • Monoisotopic mass827.450317 Da
  • ChemSpider ID7986930

More details:

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

4-[({2-[1-Acetoxy-4-methyl-3-({[(3-methylbutanoyl)oxy]methyl}{N-[(1-methyl-2-piperidinyl)carbonyl]isoleucyl}amino)pentyl]-1,3-thiazol-4-yl}carbonyl)amino]-2-methyl-5-phenylpentanoic acid [ACD/IUPAC Name]
4-[({2-[1-Acetoxy-4-methyl-3-({[(3-methylbutanoyl)oxy]methyl}{N-[(1-methyl-2-piperidinyl)carbonyl]isoleucyl}amino)pentyl]-1,3-thiazol-4-yl}carbonyl)amino]-2-methyl-5-phenylpentansäure [German] [ACD/IUPAC Name]
Acide 4-[({2-[1-acétoxy-4-méthyl-3-({[(3-méthylbutanoyl)oxy]méthyl}{N-[(1-méthyl-2-pipéridinyl)carbonyl]isoleucyl}amino)pentyl]-1,3-thiazol-4-yl}carbonyl)amino]-2-méthyl-5-phénylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 4-[[[2-[1-(acetyloxy)-4-methyl-3-[[3-methyl-2-[[(1-methyl-2-piperidinyl)carbonyl]amino]-1-oxopentyl][(3-methyl-1-oxobutoxy)methyl]amino]pentyl]-4-thiazolyl]carbonyl]amino]-2-methyl-5-p henyl- [ACD/Index Name]
tubulysin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 950.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 528.6±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 223.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 30.99
ACD/KOC (pH 5.5): 79.92
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 26.52
ACD/KOC (pH 7.4): 68.39
Polar Surface Area: 213 Å2
Polarizability: 88.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 707.5±3.0 cm3

Click to predict properties on the Chemicalize site


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