ChemSpider 2D Image | Agmatidine | C14H25N7O4

Agmatidine

  • Molecular FormulaC14H25N7O4
  • Average mass355.393 Da
  • Monoisotopic mass355.196808 Da
  • ChemSpider ID24604125
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-Pyrimidinamine, N-[4-[(aminoiminomethyl)amino]butyl]-1,4-dihydro-4-imino-1-β-D-ribofuranosyl- [ACD/Index Name]
Agmatidine
N-(4-Carbamimidamidobutyl)-4-imino-1-(β-D-ribofuranosyl)-1,4-dihydro-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-(4-Carbamimidamidobutyl)-4-imino-1-(β-D-ribofuranosyl)-1,4-dihydro-2-pyrimidinamine [ACD/IUPAC Name]
N-(4-Carbamimidamidobutyl)-4-imino-1-(β-D-ribofuranosyl)-1,4-dihydro-2-pyrimidinamine [French] [ACD/IUPAC Name]
agm(2)C
N-(4-carbamimidamidobutyl)-4-imino-1-(β-D-ribofuranosyl)-1,4-dihydropyrimidin-2-amine
  • Miscellaneous
    • Chemical Class:

      Cytidine in which the 2-keto group on the cytosine ring is substituted by the amino group of agmatine. ChEBI CHEBI:64329

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 602.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 214.5±7.0 cm3

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