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Chemical structure of 8-Bromoadenosine 5'-triphosphate tetrasodium

GC70770

8-Bromoadenosine 5'-triphosphate tetrasodium

Also known as tetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

8-Bromoadenosine 5'-triphosphate tetrasodium (8-Br-ATP tetrasodium) is an ATP analogue

ChemicalCAS35892-96-7MW674FormulaC10H11BrN5Na4O13P3
CAS number
35892-96-7
Molecular weight
674
Formula
C10H11BrN5Na4O13P3
InChIKey
KKATWOCPDMJYIH-ZVQJTLEUSA-J
Catalogue number
GC70770
Brand
GLPBIO
Computed properties PubChem CID 53472102 · TPSA 290 Ų · H-bond donors 3 · H-bond acceptors 17
TPSA
290 Ų
H-bond donors
3
H-bond acceptors
17
Rotatable bonds
7
Heavy atoms
36

SMILES C1=NC(=C2C(=N1)N(C(=N2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 53472102), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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