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Chemical structure of Ap4A tetraammonium

GC74891

Ap4A tetraammonium

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

Ap4A tetraammonium (P1,P4-Di-(adenosine-5')-tetraphosphate tetraammonium) is a conserved second messenger in organisms ranging from bacteria to humans

ChemicalCAS102783-36-8MW904.51FormulaC20H40N14O19P4
CAS number
102783-36-8
Molecular weight
904.51
Formula
C20H40N14O19P4
Solubility
H2O： 50 mg/mL (55·28 mM; Need ultrasonic and warming)
InChIKey
COBCSHRAXKIEQE-LKZCCGPLSA-N
Catalogue number
GC74891
Brand
GLPBIO
Computed properties PubChem CID 59709 · TPSA 438 Ų · H-bond donors 14 · H-bond acceptors 31
TPSA
438 Ų
H-bond donors
14
H-bond acceptors
31
Rotatable bonds
14
Heavy atoms
57

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

Computed descriptors from PubChem (CID 59709), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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