Adenylyl-(3'-5')-uridine 5'-phosphate

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Basic information

CAS: 2676-45-1
Standard SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](OP(=O)(O)O)C2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIKey: SQTOMJAYGJFXQA-XZWAAENXSA-N
Molecular formula: C19H24N7O12P
Average molar mass: 573.4 g/mol
Monoisotopic mass: 573.12205622

Names & identifiers

Preferred name: Adenylyl-(3'-5')-uridine 5'-phosphate
IUPAC: [(1R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl] dihydrogen phosphate
English name: adenylyl-(3'-5')-uridine 5'-phosphate
Molecular formula: C19H25N7O15P2
Molecular weight: 653.39

Names & synonyms

pApU2676-45-1Adenylyl-(3'-5')-uridine 5'-phosphate5'-Adenylic acid, uridylyl-(5'-3')-RefChem:109772[(1R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl] dihydrogen phosphateSCHEMBL29403525ADENYLYL-(3'-5')-URIDINE 5'-PHOSPHONATEUridine, 5'-O-phosphonoadenylyl-(3'→5')-

Database identifiers

CAS: 2676-45-1
PubChem CID: 188965

Properties

Computed structural properties

XLogP: -5.5
Topological polar surface area: 285 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 16
Rotatable bonds: 7
Heavy atoms: 39
Formal charge: 0
Complexity: 1,030

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Compound notes

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