Cas no 73-04-1 (3'-deoxyadenosine 5'-triphosphate)

3'-deoxyadenosine 5'-triphosphate structure
73-04-1 structure
Product Name:3'-deoxyadenosine 5'-triphosphate
CAS No:73-04-1
MF:C10H16N5O12P3
MW:491.181624412537
CID:977751
PubChem ID:65562
Update Time:2025-04-19

3'-deoxyadenosine 5'-triphosphate Chemical and Physical Properties

Names and Identifiers

    • 3'-deoxyadenosine 5'-triphosphate
    • CHEMBL480329
    • 3'dATP
    • 3-Deoxyadenosine 5-triphosphate sodium salt
    • 3'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
    • [[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    • 59P84ZU54H
    • CORDYCEPIN, TRIPHOSPHATE
    • CORDYCEPIN 5'-TRIPHOSPHATE
    • DB01860
    • ATP,3'-deoxy
    • 1xfv
    • 71997-32-5
    • NS00070905
    • 73-04-1
    • Adenosine 5'-(tetrahydrogen triphosphate), 3'-deoxy-
    • 3AT
    • DTXSID501014467
    • 3'-deoxyadenosine triphosphate
    • ADENOSINE, 3'-DEOXY-, 5'-TRIPHOSPHATE
    • 3'-dATP
    • Cordycepin triphosphate
    • CHEBI:52316
    • BDBM86487
    • 3'-DEOXYRIBOFURANOSYLADENINE 5'-TRIPHOSPHATE
    • CoTP
    • [[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
    • CORDYCEPIN TRIPHOSPHATE [MI]
    • UNII-59P84ZU54H
    • 3'-deoxyadenosine-5'-triphosphate
    • SCHEMBL250251
    • 3'-DEOXY-ATP
    • ((2S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
    • ADENOSINE, 3'-DEOXY-, 5'-(TETRAHYDROGEN TRIPHOSPHATE)
    • {[(2S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl) dihydrogen phosphate
    • Inchi： 1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
    • InChI Key： NLIHPCYXRYQPSD-BAJZRUMYSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1C[C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O

Computed Properties

  • Exact Mass: 491.001
  • Monoisotopic Mass: 491.001
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 8
  • Complexity: 769
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _4.5
  • Topological Polar Surface Area: 259A^2

Experimental Properties

  • Density: 2.51
  • Boiling Point: 913.3°C at 760 mmHg
  • Flash Point: 506.1°C
  • Refractive Index: 1.874
  • PSA: 288.33000
  • LogP: -0.01860

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