Cas no 19240-42-7 (5'-Adenylic acid,monoanhydride with butanedioic acid (9CI))

5'-Adenylic acid,monoanhydride with butanedioic acid (9CI) structure
19240-42-7 structure
Product Name:5'-Adenylic acid,monoanhydride with butanedioic acid (9CI)
CAS No:19240-42-7
MF:C14H18N5O10P
MW:447.29398393631
CID:149653
PubChem ID:121897
Update Time:2025-04-19

5'-Adenylic acid,monoanhydride with butanedioic acid (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid,monoanhydride with butanedioic acid (9CI)
    • N6-(1,2-dicarboxyethyl)-AMP
    • 5'-O-{[(3-carboxypropanoyl)oxy](hydroxy)phosphoryl}adenosine
    • adenylosuccinate
    • ADENYLOSUCC
    • adenylo-succ
    • 19240-42-7
    • DTXSID50903976
    • 4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid
    • 5'-Adenylic acid, monoanhydride with butanedioic acid
    • Inchi: 1S/C14H18N5O10P/c15-12-9-13(17-4-16-12)19(5-18-9)14-11(24)10(23)6(28-14)3-27-30(25,26)29-8(22)2-1-7(20)21/h4-6,10-11,14,23-24H,1-3H2,(H,20,21)(H,25,26)(H2,15,16,17)/t6-,10-,11-,14?/m1/s1
    • InChI Key: WWOOVEHSSMYXEJ-HLQSMOFHSA-N
    • SMILES: P(=O)(O)(OC(CCC(=O)O)=O)OC[C@@H]1[C@H]([C@H](C(N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 447.07924
  • Monoisotopic Mass: 447.07912879g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 9
  • Complexity: 700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.5
  • Topological Polar Surface Area: 229?2

Experimental Properties

  • PSA: 229.44
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