ChemSpider 2D Image | 1-Methyl 7-(2-methyl-2-propanyl) (2Z,6S)-2-{[(benzyloxy)carbonyl]amino}-6-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-heptenedioate | C30H44N2O10

1-Methyl 7-(2-methyl-2-propanyl) (2Z,6S)-2-{[(benzyloxy)carbonyl]amino}-6-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-heptenedioate

  • Molecular FormulaC30H44N2O10
  • Average mass592.678 Da
  • Monoisotopic mass592.299622 Da
  • ChemSpider ID9551717

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,6S)-2-{[(Benzyloxy)carbonyl]amino}-6-(bis{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-heptènedioate de 1-méthyle et de 7-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-Methyl 7-(2-methyl-2-propanyl) (2Z,6S)-2-{[(benzyloxy)carbonyl]amino}-6-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-heptenedioate [ACD/IUPAC Name]
1-Methyl-7-(2-methyl-2-propanyl)-(2Z,6S)-2-{[(benzyloxy)carbonyl]amino}-6-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-heptendioat [German] [ACD/IUPAC Name]
2-Heptenedioic acid, 6-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]-, 7-(1,1-dimethylethyl) 1-methyl ester, (2Z,6S)- [ACD/Index 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: 1.511
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12869.37
ACD/KOC (pH 5.5): 30421.86
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12679.54
ACD/KOC (pH 7.4): 29973.14
Polar Surface Area: 147 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 512.8±3.0 cm3

Click to predict properties on the Chemicalize site


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