ChemSpider 2D Image | N~5~-(Diaminomethylene)-L-ornithyl-alpha-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-N-iodo-L-tyrosine | C22H27IN6O7

N5-(Diaminomethylene)-L-ornithyl-α-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-N-iodo-L-tyrosine

  • Molecular FormulaC22H27IN6O7
  • Average mass614.390 Da
  • Monoisotopic mass614.098572 Da
  • ChemSpider ID116720

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosine, N5-(diaminomethylene)-L-ornithyl-α-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]-N-iodo- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-α-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-N-iod-L-tyrosin [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-α-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-N-iodo-L-tyrosine [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-α-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-N-iodo-L-tyrosine [French] [ACD/IUPAC Name]
(2R)-2-[(2S)-2-AMINO-5-[(DIAMINOMETHYLIDENE)AMINO]-N-IODOPENTANAMIDO]-5-(2,5-DIOXOPYRROL-1-YL)-2-[(4-HYDROXYPHENYL)METHYL]-3-OXOPENTANOIC ACID
138191-82-9 [RN]
3-Maleimidopropionylarginylmonoiodotyrosine
3-Maleimidopropionyl-arg-I-tyr
3-Mpait
L-Tyrosine, N-(N2-(3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl)-2-arginyl)-3-(ido-125I)-

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

Density: 1.8±0.1 g/cm3
Boiling Point: 819.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.4±37.1 °C
Index of Refraction: 1.697
Molar Refractivity: 134.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 72.6±7.0 dyne/cm
Molar Volume: 349.8±7.0 cm3

Click to predict properties on the Chemicalize site


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