[(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-propan-2-yloxy-phosphinic acid

Systemtic Name: [(2S)-1-(6-aminopurin-9-yl)-3-oxidanyl-propan-2-yl]oxymethyl-propan-2-yloxy-phosphinic acid Openeye Name: [(1S)-1-[(6-aminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methyl-isopropoxy-phosphinic acid CAS Name: [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-propan-2-yloxyphosphinic acid IUPAC Name: [(2S)-1-(6-aminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-propan-2-yloxyphosphinic acid Traditional Name: [(1S)-1-(adenin-9-ylmethyl)-2-hydroxy-ethoxy]methyl-isopropoxy-phosphinic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(CN1C=NC2=C1N=CN=C2N)CO)O

Isomeric SMILES

CC(C)OP(=O)(CO[C@@H](CN1C=NC2=C1N=CN=C2N)CO)O

InChI

InChI=1S/C12H20N5O5P/c1-8(2)22-23(19,20)7-21-9(4-18)3-17-6-16-10-11(13)14-5-15-12(10)17/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,19,20)(H2,13,14,15)/t9-/m0/s1