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Chemical structure of Diadenosine pentaphosphate pentaammonium

GC62929

Diadenosine pentaphosphate pentaammonium

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

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

ChemicalCAS102783-61-9MW1001.52FormulaC20H44N15O22P5
CAS number
102783-61-9
Molecular weight
1001.52
Formula
C20H44N15O22P5
InChIKey
XCOZIAOMHASKGR-CSMIRWGRSA-N
Catalogue number
GC62929
Brand
GLPBIO
Computed properties PubChem CID 177839296 · TPSA 500 Ų · H-bond donors 11 · H-bond acceptors 30
TPSA
500 Ų
H-bond donors
11
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.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Computed descriptors from PubChem (CID 177839296), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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