pdCpIsodU

HCID 486167

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Basic information

CAS: 356518-61-1
Standard SMILES: Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3OC[C@@H](n4ccc(=O)[nH]c4=O)[C@@H]3O)[C@@H](COP(=O)(O)O)O2)c(=O)n1
InChIKey: WGIAJLAXTLAWOI-LWHUEDLUSA-N
Molecular formula: C18H25N5O14P2
Average molar mass: 597.4 g/mol
Monoisotopic mass: 597.08732448

Names & identifiers

Preferred name: pdCpIsodU
IUPAC: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Names & synonyms

pdCpIsodUCHEMBL1160386CHEMBL285740DTXSID101107731BDBM50100011356518-61-1[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate2a(2)-Deoxy-5a(2)-O-phosphonocytidylyl-(3a(2)a5a(2))-1-(1,4-anhydro-2-deoxy-D-arabinitol-2-yl)-1-de-I(2)-D-ribofuranosyluridinePhosphoric acid (2R,3S,5R)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl ester (2R,3S,4R)-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl esterPhosphoric acid 5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl ester 4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester

Database identifiers

CAS: 356518-61-1
PubChem CID: 486167
DTXSID: DTXSID101107731
ChEMBL: CHEMBL1160386
Nikkaji: J1.546.270A

Properties

Computed structural properties

XLogP: -5.7
Topological polar surface area: 269 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 14
Rotatable bonds: 10
Heavy atoms: 39
Formal charge: 0
Complexity: 1,190

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