Adenosine 5'-P(1)-triphosphate-P(3)-5'''-uridine structure

Adenosine 5'-P(1)-triphosphate-P(3)-5'''-uridine

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate

Also Known As: ApppU|Ap3U|Adenosine triphosphate uridine|Adenosine 5'-P(1)-triphosphate-P(3)-5'''-uridine|Adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with uridine|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate

CAS: 30632-06-5
Molecular Formula C19H26N7O18P3
Molecular Weight 733.0547 g/mol
LogP -3.4353
Topological Polar Surface Area 372.68 Ų
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 19
Rotatable Bonds 12
Exact Mass 733.0547
Monoisotopic Mass 733.0547
Heavy Atoms 47
Complexity 1880.5399

Chemical Identifiers

CAS Number 30632-06-5
SMILES C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)OP(=O)(O)OP(=O)(O)O)O)O

Product Overview

Adenosine 5'-P(1)-triphosphate-P(3)-5'''-uridine (CAS 30632-06-5), with molecular formula C19H26N7O18P3 and molecular weight 733.0547 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate.

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