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Chemical structure of α,β-Methyleneadenosine 5'-triphosphate (sodium salt)

GC45195

α,β-Methyleneadenosine 5'-triphosphate (sodium salt)

Also known as trisodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]methyl]phosphinate

α,β-Methyleneadenosine 5'-triphosphate (sodium salt), a phosphonic analog of ATP, is a P2X3 and P2X7 receptor ligand

ChemicalCAS1343364-54-4MW571.2FormulaC11H15N5O12P3•3Na
CAS number
1343364-54-4
Molecular weight
571.2
Formula
C11H15N5O12P3•3Na
Solubility
10 mg/ml in PBS (pH 7·2)
InChIKey
CBAGKCWFSRTVER-MTQUBGKESA-K
Catalogue number
GC45195
Brand
GLPBIO
Computed properties PubChem CID 90488813 · TPSA 278 Ų · H-bond donors 4 · H-bond acceptors 16
TPSA
278 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
34

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

Computed descriptors from PubChem (CID 90488813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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