ChemSpider 2D Image | Methyl (2S)-[3-(N',N''-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)phenyl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetate | C25H38N4O8

Methyl (2S)-[3-(N',N''-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)phenyl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetate

  • Molecular FormulaC25H38N4O8
  • Average mass522.591 Da
  • Monoisotopic mass522.268982 Da
  • ChemSpider ID8753317

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-[3-(N',N''-Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}carbamimidamido)phényl]({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(Z)-[[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]amino]-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-[3-(N',N''-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)phenyl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetate [ACD/IUPAC Name]
Methyl-(2S)-[3-(N',N''-bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidamido)phenyl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.521
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1141.38
ACD/KOC (pH 5.5): 4997.77
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 74.73
ACD/KOC (pH 7.4): 327.24
Polar Surface Area: 154 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 447.3±7.0 cm3

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