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Chemical structure of Oxidized ATP trisodium salt

GC75231

Oxidized ATP trisodium salt

Also known as trisodium;[[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

Oxidized ATP (oATP) trisodium salt is a broad-spectrum P2 receptor inhibitor

ChemicalCAS71997-40-5MW571.11FormulaC10H11N5Na3O13P3
CAS number
71997-40-5
Molecular weight
571.11
Formula
C10H11N5Na3O13P3
Solubility
H2O： 50 mg/mL (87·55 mM; Need ultrasonic and warming)
InChIKey
FONDUACPXCWSBT-PXJNTPRPSA-K
Catalogue number
GC75231
Brand
GLPBIO
Computed properties PubChem CID 168510541 · TPSA 281 Ų · H-bond donors 2 · H-bond acceptors 17
TPSA
281 Ų
H-bond donors
2
H-bond acceptors
17
Rotatable bonds
12
Heavy atoms
34

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

Computed descriptors from PubChem (CID 168510541), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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