[(2S)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-azido-oxolan-2-yl]phosphonic acid

Systemtic Name: [(2S)-3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-2-azido-oxolan-2-yl]phosphonic acid Openeye Name: [(2S)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-azido-tetrahydrofuran-2-yl]phosphonic acid CAS Name: [(2S)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-azido-2-oxolanyl]phosphonic acid IUPAC Name: [(2S)-3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-azidooxolan-2-yl]phosphonic acid Traditional Name: [(2S)-3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-azido-tetrahydrofuran-2-yl]phosphonic acid Formula: C10H13N8O5P MolecularWeight: 356.234581

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C1CN2C=NC3=C2NC(=NC3=O)N)(N=[N+]=[N-])P(=O)(O)O

Isomeric SMILES

C1CO[C@](C1CN2C=NC3=C2NC(=NC3=O)N)(N=[N+]=[N-])P(=O)(O)O

InChI

InChI=1S/C10H13N8O5P/c11-9-14-7-6(8(19)15-9)13-4-18(7)3-5-1-2-23-10(5,16-17-12)24(20,21)22/h4-5H,1-3H2,(H2,20,21,22)(H3,11,14,15,19)/t5?,10-/m0/s1