ChemSpider 2D Image | 2,5-Dioxo-1-pyrrolidinyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinate | C18H21IN2O7

2,5-Dioxo-1-pyrrolidinyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinate

  • Molecular FormulaC18H21IN2O7
  • Average mass504.273 Da
  • Monoisotopic mass504.039337 Da
  • ChemSpider ID117503

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,5-Dioxo-1-pyrrolidinyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinate [ACD/IUPAC Name]
2,5-Dioxo-1-pyrrolidinyl-3-iod-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosinat [German] [ACD/IUPAC Name]
3-Iodo-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tyrosinate de 2,5-dioxo-1-pyrrolidinyle [French] [ACD/IUPAC Name]
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, 2,5-dioxo-1-pyrrolidinyl ester [ACD/Index Name]
(2,5-dioxopyrrolidin-1-yl) (2S)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
2,5-DIOXOPYRROLIDIN-1-YL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-HYDROXY-3-IODOPHENYL)PROPANOATE
79028-57-2 [RN]
Boc-itry-nhse
Carbamic acid, (2-((2,5-dioxo-1-pyrrolidinyl)oxy)-1-((4-hydroxy-3-iodophenyl)methyl)-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)-
tertiary-Butyloxycarbonyl-L-iodotyrosine-N-hydroxysuccininimide ester

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.69
ACD/KOC (pH 5.5): 403.52
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.28
ACD/KOC (pH 7.4): 358.68
Polar Surface Area: 122 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 299.1±5.0 cm3

Click to predict properties on the Chemicalize site


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