Cas no 106867-29-2 (Adenosine5'-(tetrahydrogen triphosphate), 2-bromo-2'-deoxy- (9CI))

Adenosine5'-(tetrahydrogen triphosphate), 2-bromo-2'-deoxy- (9CI) structure
106867-29-2 structure
Product Name:Adenosine5'-(tetrahydrogen triphosphate), 2-bromo-2'-deoxy- (9CI)
CAS No:106867-29-2
MF:C10H15BrN5O12P3
MW:570.07768368721
CID:139788
PubChem ID:129443
Update Time:2025-04-19

Adenosine5'-(tetrahydrogen triphosphate), 2-bromo-2'-deoxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(tetrahydrogen triphosphate), 2-bromo-2'-deoxy- (9CI)
    • 2-bromo-2'-deoxyadenosine triphosphate
    • 2-bromo-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
    • 2-Bromo-datp
    • Adenosine, 5'-(tetrahydrogen triphosphate)- 2-bromo-2'-deoxy-
    • 106867-29-2
    • [[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    • DTXSID00910155
    • 2-Bromo-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
    • Inchi： 1S/C10H15BrN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6-/m0/s1
    • InChI Key： FLYRFEYNGPLUFC-JKUQZMGJSA-N
    • SMILES： BrC1N=C(C2=C(N=1)N(C=N2)[C@@H]1C[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)O)N

Computed Properties

  • Exact Mass: 568.91145
  • Monoisotopic Mass: 568.91134g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 805
  • 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
  • Topological Polar Surface Area: 259?2

Experimental Properties

  • PSA: 258.9

Adenosine5'-(tetrahydrogen triphosphate), 2-bromo-2'-deoxy- (9CI) Suppliers

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(CAS:106867-29-2)2-Bromo-2'-deoxyadenosine triphosphate
Order Number:NC19344
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:19
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NewCan Biotech Limited
(CAS:106867-29-2)2-Bromo-2'-deoxyadenosine triphosphate
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Purity:97%
Quantity:10g
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