ChemSpider 2D Image | 2-({4-[(Diaminomethylene)ammonio]butyl}amino)-1-(beta-D-ribofuranosyl)-4(1H)-pyrimidiniminium | C14H27N7O4

2-({4-[(Diaminomethylene)ammonio]butyl}amino)-1-(β-D-ribofuranosyl)-4(1H)-pyrimidiniminium

  • Molecular FormulaC14H27N7O4
  • Average mass357.408 Da
  • Monoisotopic mass357.211365 Da
  • ChemSpider ID28184620

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-({4-[(Diaminomethylene)ammonio]butyl}amino)-1-(β-D-ribofuranosyl)-4(1H)-pyrimidiniminium [ACD/IUPAC Name]
2-[(4-{[Amino(iminio)methyl]amino}butyl)amino]-6-imino-3-(β-D-ribofuranosyl)-3,6-dihydropyrimidin-1-ium [German] [ACD/IUPAC Name]
2-[(4-{[Amino(iminio)méthyl]amino}butyl)amino]-6-imino-3-(β-D-ribofuranosyl)-3,6-dihydropyrimidin-1-ium [French] [ACD/IUPAC Name]
2-Pyrimidinamine, N-[4-[(aminoiminomethyl)amino]butyl]-1,4-dihydro-4-imino-1-β-D-ribofuranosyl-, conjugate diacid [ACD/Index Name]
agm(2)C
Agmatidine
agmatidine dication
agmatidine(2+)
agmatidinium(2+)
  • Miscellaneous

    • Chemical Class:

      A guanidinium ion obtained by protonation of the guanidino group and cytidine ring of agmatidine. Nucleotide used in tRNA Ile2 at position 34 in Archaea. Ensures the tRNA only charges Ile and not Met. ChEBI CHEBI:64327

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

Density:
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:
Molar Refractivity:
#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: 187 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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