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Chemical structure of Adenosine 5′-diphosphoribose sodium

GC19729

Adenosine 5′-diphosphoribose sodium

Also known as sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentoxy]phosphoryl] phosphate

Adenosine 5′-diphosphoribose sodium (ADP ribose sodium) is a nicotinamide adenine nucleotide (NAD+) metabolite

ChemicalCAS68414-18-6MW581.3FormulaC₁₅H₂₂N₅NaO₁₄P₂
CAS number
68414-18-6
Molecular weight
581.3
Formula
C₁₅H₂₂N₅NaO₁₄P₂
Solubility
Water ： 125 mg/mL (215·04 mM)
InChIKey
RJWGZGBNLLYUJC-KAXKLPFCSA-M
Catalogue number
GC19729
Brand
GLPBIO
Computed properties PubChem CID 177839148 · TPSA 302 Ų · H-bond donors 7 · H-bond acceptors 18
TPSA
302 Ų
H-bond donors
7
H-bond acceptors
18
Rotatable bonds
12
Heavy atoms
37

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

Computed descriptors from PubChem (CID 177839148), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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