Cas no 26113-03-1 (5'-Adenylic acid,3'-amino-3'-deoxy-N,N-dimethyl- (9CI))

5'-Adenylic acid,3'-amino-3'-deoxy-N,N-dimethyl- (9CI) structure
26113-03-1 structure
Product Name:5'-Adenylic acid,3'-amino-3'-deoxy-N,N-dimethyl- (9CI)
CAS No:26113-03-1
MF:C12H19N6O6P
MW:374.289622545242
CID:280778
PubChem ID:451597
Update Time:2025-04-19

5'-Adenylic acid,3'-amino-3'-deoxy-N,N-dimethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid,3'-amino-3'-deoxy-N,N-dimethyl- (9CI)
    • [(2S,3S,4R,5R)-3-amino-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • PD005973
    • 3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate)
    • [(2S,3S,4R,5R)-3-amino-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
    • DTXSID30180748
    • 26113-03-1
    • 5'-Adenylic acid, 3'-amino-3'-deoxy-N,N-dimethyl-
    • PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE
    • PANS 5'-monophosphate
    • N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE
    • Puromycin aminonucleoside 5'-monophosphate
    • NS00070763
    • Q27095341
    • DB04602
    • Inchi: 1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1
    • InChI Key: BFPIKGKMRKBBBF-GRIPGOBMSA-N
    • SMILES: P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(=NC=NC2=3)N(C)C)O1)O)N

Computed Properties

  • Exact Mass: 374.11057
  • Monoisotopic Mass: 374.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 522
  • 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: _5.3
  • Topological Polar Surface Area: 169?2

Experimental Properties

  • Density: 1.93
  • Boiling Point: 715.3°Cat760mmHg
  • Flash Point: 386.4°C
  • Refractive Index: 1.788
  • PSA: 169.08
  • LogP: -0.71250

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