Cas no 148253-84-3 (Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI))

Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI) structure
148253-84-3 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)
CAS No:148253-84-3
MF:C11H17N5O10P2
MW:441.227703809738
CID:212815
PubChem ID:3083432
Update Time:2025-04-19

Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)
    • 3'-C-Methyladenosine diphosphate
    • 3-Meadp
    • 5'-O-methyladenosine 3'-(trihydrogen diphosphate)
    • Adenosine 5'-(trihydrogen diphosphate), 3'-C-methyl-
    • 9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-5-O-methylpentofuranosyl}-9H-purin-6-amine
    • 3/'-C-methyladenosine diphosphate
    • 148253-84-3
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl] phosphono hydrogen phosphate
    • DTXSID00933349
    • Inchi: 1S/C11H17N5O10P2/c1-23-2-5-8(25-28(21,22)26-27(18,19)20)7(17)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
    • InChI Key: DXBLUALDQQDGLM-IOSLPCCCSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)O)O[C@@H]1[C@@H](COC)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2

Computed Properties

  • Exact Mass: 441.04521
  • Monoisotopic Mass: 441.045065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 653
  • 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: _4.1
  • Topological Polar Surface Area: 222

Experimental Properties

  • Density: 2.25
  • Boiling Point: 833.9°Cat760mmHg
  • Flash Point: 458.2°C
  • Refractive Index: 1.816
  • PSA: 232.6
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