Cas no 128531-73-7 (9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]-)

9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]- structure
128531-73-7 structure
Product Name:9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]-
CAS No:128531-73-7
MF:C10H15FN5O11P3
MW:493.172687768936
CID:163176
PubChem ID:122615
Update Time:2025-04-19

9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]-
    • 2',3'-dideoxy-2'-fluoroadenosine triphosphate
    • 9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]pho...
    • 9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranos
    • 2'-F-Ddatp
    • 9-(2,3-Dideoxy-2-fluoro-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-threo-pentofuranosyl)-9H-purin-6-amine
    • 9-[2,3-dideoxy-2-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-threo-pentofuranosyl
    • 9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-threo-pentofuranosyl)-
    • DTXSID60926156
    • FDDA-TP
    • .beta.-FddATP
    • [[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
    • 9-[2,3-Dideoxy-2-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
    • FddATP
    • 9H-Purin-6-amine, 9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-threo-pentofuranosyl]-
    • ((2S,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluorotetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
    • Lodenosine-triphosphate
    • 128531-73-7
    • 2'-.beta.-Fluoro-2',3'-dideoxyadenosine 5'-triphosphate
    • Inchi： 1S/C10H15FN5O11P3/c11-6-1-5(2-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10H,1-2H2,(H,20,21)(H,22,23)(H2,12,13,14)(H2,17,18,19)/t5-,6-,10+/m0/s1
    • InChI Key： XTYFOHFICSGRIG-JFWOZONXSA-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)F

Computed Properties

  • Exact Mass: 492.996
  • Monoisotopic Mass: 492.996
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 8
  • Complexity: 774
  • 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: _3.5
  • Topological Polar Surface Area: 239?2

Experimental Properties

  • Density: 2.45
  • Boiling Point: 844.8°Cat760mmHg
  • Flash Point: 464.7°C
  • Refractive Index: 1.827

9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]- Related Literature

128531-73-7 (9H-Purin-6-amine,9-[2,3-dideoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-threo-pentofuranosyl]-) Related Products

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