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Chemical structure of 2-Methylthio-ATP

GC15416

2-Methylthio-ATP

Also listed as 2-Methylthioadenosine triphosphate tetrasodium salt

2-Methylthioadenosine triphosphate tetrasodium salt is a non-specific P2-receptor agonist

ChemicalCAS100020-57-3MW641.2FormulaC11H14N5Na4O13P3S
CAS number
100020-57-3
Molecular weight
641.2
Formula
C11H14N5Na4O13P3S
Solubility
＜64·12mg/ml in Water
InChIKey
UEEFBRHXFDJPTA-KWIZKVQNSA-J
Catalogue number
GC15416
Brand
GLPBIO
Computed properties PubChem CID 16218831 · TPSA 316 Ų · H-bond donors 3 · H-bond acceptors 18
TPSA
316 Ų
H-bond donors
3
H-bond acceptors
18
Rotatable bonds
8
Heavy atoms
37

SMILES CSC1=NC(=C2C(=N1)N(C=N2)[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 16218831), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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