[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 6-azanylhexanoate

Systemtic Name: [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 6-azanylhexanoate Openeye Name: [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] 6-aminohexanoate CAS Name: 6-aminohexanoic acid [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 6-aminohexanoate Traditional Name: 6-aminohexanoic acid [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] ester Formula: C15H25N4O8P MolecularWeight: 420.354761

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)OC(=O)CCCCCN

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OC(=O)CCCCCN

InChI

InChI=1S/C15H25N4O8P/c16-6-3-1-2-4-14(20)27-10-8-13(19-7-5-12(17)18-15(19)21)26-11(10)9-25-28(22,23)24/h5,7,10-11,13H,1-4,6,8-9,16H2,(H2,17,18,21)(H2,22,23,24)/t10-,11+,13+/m0/s1