[(3S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-azanyl-2-oxidanylidene-butyl] dihydrogen phosphate

Systemtic Name: [(3S)-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-azanyl-2-oxidanylidene-butyl] dihydrogen phosphate Openeye Name: [(3S)-3-amino-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-butyl] dihydrogen phosphate CAS Name: [(3S)-3-amino-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-oxobutyl] dihydrogen phosphate IUPAC Name: [(3S)-3-amino-1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxobutyl] dihydrogen phosphate Traditional Name: [(3S)-1-[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-amino-2-keto-butyl] dihydrogen phosphate Formula: C13H19N6O8P MolecularWeight: 418.299121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OP(=O)(O)O)N

Isomeric SMILES

C[C@@H](C(=O)C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)OP(=O)(O)O)N

InChI

InChI=1S/C13H19N6O8P/c1-4(14)6(20)10(27-28(23,24)25)9-7(21)8(22)13(26-9)19-3-18-5-11(15)16-2-17-12(5)19/h2-4,7-10,13,21-22H,14H2,1H3,(H2,15,16,17)(H2,23,24,25)/t4-,7-,8+,9-,10?,13+/m0/s1