Cas no 23600-16-0 (Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI))

Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI) structure
23600-16-0 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI)
CAS No:23600-16-0
MF:C10H14BrN5O10P2
MW:506.097182750702
CID:284338
PubChem ID:447236
Update Time:2025-04-19

Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI) Chemical and Physical Properties

Names and Identifiers

    • [[(2R,3R,4R,5R)-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid
    • 8- BROMOADENOSINE- 5'- O- DIPHOSPHATE ( 8-BR-ADP )
    • 8-bromoadenosine 5'-diphosphate
    • 8-Brom-adenosin-5'-diphosphat
    • 8-Bromadenosindiphosphat
    • 8-Bromoadenosine 5'-triphosphate
    • 8-bromoadenosine diphosphate
    • 8-bromoadenosine triphosphate
    • 8-bromo-ADP
    • 8-Bromo-ATP
    • 8-bromo-O5'-trihydroxydiphosphoryl-adenosine
    • 8-Bromoadenosine 5'-diphosphate
    • 8-Bromoadenine diphosphoribose
    • 8-Bromo-ADP
    • Adenosine, 8-bromo-, 5'-(trihydrogen pyrophosphate) (8CI)
    • Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI)
    • DB04554
    • CHEMBL1230795
    • ((2R,3S,4R,5R)-5-(6-Amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
    • PD059215
    • ((2R,3S,4R,5R)-5-(6-Amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltrihydrogendiphosphate
    • [({[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
    • 8-Bromo-9-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
    • 8-Bromoadenosine 5'-diphosphoric acid
    • 23600-16-0
    • DTXSID30946422
    • Br8ADP
    • 8-BROMOADENOSINE-5'-DIPHOSPHATE
    • 8-Bromo-Adenosine diphosphate
    • C10H14BrN5O10P2
    • SCHEMBL4314233
    • [(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    • C10-H14-Br-N5-O10-P2
    • Adenosine 5'-(trihydrogen diphosphate), 8-bromo-
    • 8-Bromoadenine diphosphoribose
    • NS00070918
    • 8-bromoadenosine 5'-(trihydrogen diphosphate)
    • Inchi： 1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)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)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
    • InChI Key： KVVVTFSHHQCHNZ-UUOKFMHZSA-N
    • SMILES： BrC1=NC2C(N)=NC=NC=2N1[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O1)O)O

Computed Properties

  • Exact Mass: 504.94000
  • Monoisotopic Mass: 504.93993g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • 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: -3.6
  • Topological Polar Surface Area: 233?2

Experimental Properties

  • PSA: 252.22000
  • LogP: -0.40230

Adenosine 5'-(trihydrogen diphosphate), 8-bromo- (9CI) Related Literature

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