ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[(E)-(2,2,10,10-tetramethyl-4,8-dioxo-5-phenyl-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]butanoate | C30H48N4O8

2-Methyl-2-propanyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[(E)-(2,2,10,10-tetramethyl-4,8-dioxo-5-phenyl-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]butanoate

  • Molecular FormulaC30H48N4O8
  • Average mass592.724 Da
  • Monoisotopic mass592.347229 Da
  • ChemSpider ID9482822

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-[(E)-(2,2,10,10-tétraméthyl-4,8-dioxo-5-phényl-3,9-dioxa-5,7-diazaundécan-6-ylidène)amino]butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[(E)-(2,2,10,10-tetramethyl-4,8-dioxo-5-phenyl-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-[(E)-(2,2,10,10-tetramethyl-4,8-dioxo-5-phenyl-3,9-dioxa-5,7-diazaundecan-6-yliden)amino]butanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(1E)-[[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]phenylamino]methylene]amino]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.509
Molar Refractivity: 160.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43700.20
ACD/KOC (pH 5.5): 72909.95
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 33951.54
ACD/KOC (pH 7.4): 56645.17
Polar Surface Area: 145 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 36.5±7.0 dyne/cm
Molar Volume: 537.2±7.0 cm3

Click to predict properties on the Chemicalize site


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