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Chemical structure of ATP disodium trihydrate

GC61448

ATP disodium trihydrate

Also known as disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate;trihydrate

ATP disodium trihydrate (Adenosine 5'-triphosphate disodium trihydrate) is a central component of energy storage and metabolism in vivo

ChemicalCAS51963-61-2MW605.19FormulaC10H20N5Na2O16P3
CAS number
51963-61-2
Molecular weight
605.19
Formula
C10H20N5Na2O16P3
Solubility
Water： 250 mg/mL (413·09 mM)
InChIKey
MWEQTWJABOLLOS-AZGWGOJFSA-L
Catalogue number
GC61448
Brand
GLPBIO
Computed properties PubChem CID 6096884 · TPSA 288 Ų · H-bond donors 8 · H-bond acceptors 20
TPSA
288 Ų
H-bond donors
8
H-bond acceptors
20
Rotatable bonds
7
Heavy atoms
36

SMILES C1=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.O.O.O.[Na+].[Na+]

Computed descriptors from PubChem (CID 6096884), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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