ChemSpider 2D Image | 2,5-Dioxo-1-pyrrolidinyl 3-[(benzyloxy)methyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}histidinate | C23H28N4O7

2,5-Dioxo-1-pyrrolidinyl 3-[(benzyloxy)methyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}histidinate

  • Molecular FormulaC23H28N4O7
  • Average mass472.491 Da
  • Monoisotopic mass472.195801 Da
  • ChemSpider ID72382561

More details:

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

2,5-Dioxo-1-pyrrolidinyl 3-[(benzyloxy)methyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}histidinate [ACD/IUPAC Name]
2,5-Dioxo-1-pyrrolidinyl-3-[(benzyloxy)methyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}histidinat [German] [ACD/IUPAC Name]
3-[(Benzyloxy)méthyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}histidinate de 2,5-dioxo-1-pyrrolidinyle [French] [ACD/IUPAC Name]
Histidine, N-[(1,1-dimethylethoxy)carbonyl]-3-[(phenylmethoxy)methyl]-, 2,5-dioxo-1-pyrrolidinyl ester [ACD/Index Name]
129672-10-2 [RN]
Boc-His(3-Bom)-Osu
MFCD03788183

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: 1.597
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 3.45
ACD/KOC (pH 5.5): 56.15
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.95
ACD/KOC (pH 7.4): 226.94
Polar Surface Area: 129 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 359.3±7.0 cm3

Click to predict properties on the Chemicalize site


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