ChemSpider 2D Image | 2-Methyl-2-propanyl N~2~-(4-{[(4-amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)-N~5~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-ornithinate | C29H40N8O5

2-Methyl-2-propanyl N2-(4-{[(4-amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)-N5-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-ornithinate

  • Molecular FormulaC29H40N8O5
  • Average mass580.679 Da
  • Monoisotopic mass580.312195 Da
  • ChemSpider ID8682867

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Methyl-2-propanyl N2-(4-{[(4-amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)-N5-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-ornithinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N2-(4-{[(4-amino-2-methyl-6-pteridinyl)methyl]amino}benzoyl)-N5-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-ornithinat [German] [ACD/IUPAC Name]
L-Ornithine, N2-[4-[[(4-amino-2-methyl-6-pteridinyl)methyl]amino]benzoyl]-N5-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N2-(4-{[(4-Amino-2-méthyl-6-ptéridinyl)méthyl]amino}benzoyl)-N5-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-ornithinate de 2-méthyl-2-propanyle [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: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 160.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 186.40
ACD/KOC (pH 5.5): 1408.68
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.72
ACD/KOC (pH 7.4): 1622.72
Polar Surface Area: 183 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 466.3±3.0 cm3

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