Cas no 1492-61-1 (Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI))

Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI) structure
1492-61-1 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI)
CAS No:1492-61-1
MF:C10H14FN5O10P2
MW:445.191586971283
CID:187143
PubChem ID:3081964
Update Time:2025-04-19

Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI)
    • [(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    • 2-Fluoro-ADP
    • 2-fluoroadenosine 5'-(trihydrogen diphosphate)
    • 2-Fluoro-adenosine diphosphate
    • Adenosine 5'-(2-fluorodiphosphate)
    • Adenosine, 5'-(trihydrogen diphosphate), 2-fluoro-
    • ADP-beta-F
    • Betafadp
    • DTXSID00164196
    • 1492-61-1
    • AKOS040749917
    • Inchi： 1S/C10H14FN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
    • InChI Key： ZAHBDWMZWHJOLZ-UUOKFMHZSA-N
    • SMILES： P(=O)(O)(OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC(=NC2=3)F)O1)O)O

Computed Properties

  • Exact Mass: 445.02012
  • Monoisotopic Mass: 445.01999382g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 673
  • 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: -4.2
  • Topological Polar Surface Area: 233?2

Experimental Properties

  • Color/Form: Solid powder
  • PSA: 232.6

Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI) Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

Adenosine5'-(trihydrogen diphosphate), 2-fluoro- (9CI) Related Literature

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