Cas no 35985-26-3 (Glycine, monoanhydridewith 5'-adenylic acid (9CI))

Glycine, monoanhydridewith 5'-adenylic acid (9CI) structure
35985-26-3 structure
Product Name:Glycine, monoanhydridewith 5'-adenylic acid (9CI)
CAS No:35985-26-3
MF:C12H17N6O8P
MW:404.272542715073
CID:309476
PubChem ID:193732
Update Time:2025-04-19

Glycine, monoanhydridewith 5'-adenylic acid (9CI) Chemical and Physical Properties

Names and Identifiers

    • Glycine, monoanhydridewith 5'-adenylic acid (9CI)
    • glycyl adenylate
    • 5'-O-[(2-aminoacetoxy)(hydroxy)phosphoryl]adenosine
    • ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYOXOLAN-2-YL)METHYL ((2-AZANIUMYLACETYL)OXY)PHOSPHONATE
    • GLYCYL 5'-ADENYLATE
    • Glycyladenylate
    • UNII-T4W95Y3RML
    • glycyl-AMP
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-aminoacetate
    • 9-(5-O-{[(Aminoacetyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amine
    • Q27133493
    • CHEBI:64849
    • GLYCYL-ADENOSINE-5'-PHOSPHATE
    • Glycine, monoanhydride with 5'-adenylic acid
    • T4W95Y3RML
    • 5'-adenylic acid glycine anhydride
    • GLYCINE, ANHYDRIDE WITH 5'-ADENYLIC ACID (1:1)
    • 5'-O-[(2-glycyloxy)(hydroxy)phosphoryl]adenosine
    • 35985-26-3
    • DTXSID10957410
    • Inchi: 1S/C12H17N6O8P/c13-1-6(19)26-27(22,23)24-2-5-8(20)9(21)12(25-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2,13H2,(H,22,23)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
    • InChI Key: HROXHMRQKGGIFT-JJNLEZRASA-N
    • SMILES: P(=O)(O)(OC(CN)=O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 404.08471
  • Monoisotopic Mass: 404.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 600
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _6.1
  • Topological Polar Surface Area: 218?2

Experimental Properties

  • Density: 2.18
  • Boiling Point: 769.6°Cat760mmHg
  • Flash Point: 419.3°C
  • Refractive Index: 1.846
  • PSA: 218.16
  • LogP: -1.07190
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