[(2S,4S)-4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-1,3-dioxan-2-yl]phosphonic acid

Systemtic Name: [(2S,4S)-4-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-1,3-dioxan-2-yl]phosphonic acid Openeye Name: [(2S,4S)-4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-dioxan-2-yl]phosphonic acid CAS Name: [(2S,4S)-4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-dioxan-2-yl]phosphonic acid IUPAC Name: [(2S,4S)-4-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-dioxan-2-yl]phosphonic acid Traditional Name: [(2S,4S)-4-[(2-amino-6-keto-3H-purin-9-yl)methyl]-1,3-dioxan-2-yl]phosphonic acid Formula: C10H14N5O6P MolecularWeight: 331.221821

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1CN2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O

Isomeric SMILES

C1CO[C@@H](O[C@@H]1CN2C=NC3=C2NC(=NC3=O)N)P(=O)(O)O

InChI

InChI=1S/C10H14N5O6P/c11-9-13-7-6(8(16)14-9)12-4-15(7)3-5-1-2-20-10(21-5)22(17,18)19/h4-5,10H,1-3H2,(H2,17,18,19)(H3,11,13,14,16)/t5-,10-/m0/s1