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Chemical structure of Diadenosine pentaphosphate pentasodium

GC62930

Diadenosine pentaphosphate pentasodium

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

Diadenosine pentaphosphate pentasodium is an endogenous vasoactive purine dinucleotide which has been isolated from thrombocytes

ChemicalCAS4097-04-5MW1026.28FormulaC20H24N10Na5O22P5
CAS number
4097-04-5
Molecular weight
1026.28
Formula
C20H24N10Na5O22P5
InChIKey
NNMFUJJMJIYTSP-CSMIRWGRSA-I
Catalogue number
GC62930
Brand
GLPBIO
Computed properties PubChem CID 16219241 · TPSA 495 Ų · H-bond donors 6 · H-bond acceptors 30
TPSA
495 Ų
H-bond donors
6
H-bond acceptors
30
Rotatable bonds
16
Heavy atoms
62

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-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[Na+].[Na+].[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 16219241), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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