ChemSpider 2D Image | Benzyl 1-[(4-methoxyphenyl)sulfonyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidylglycinate | C27H32N4O8S

Benzyl 1-[(4-methoxyphenyl)sulfonyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidylglycinate

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID8706553

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4-Méthoxyphényl)sulfonyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-histidylglycinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 1-[(4-methoxyphenyl)sulfonyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidylglycinate [ACD/IUPAC Name]
Benzyl1-[(4-methoxyphenyl)sulfonyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-histidylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-1-[(4-methoxyphenyl)sulfonyl]-L-histidyl-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.72
ACD/KOC (pH 5.5): 680.97
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.68
ACD/KOC (pH 7.4): 680.55
Polar Surface Area: 163 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 439.4±7.0 cm3

Click to predict properties on the Chemicalize site


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