[(2S,3S)-2-(6-aminopurin-9-yl)-3-oxidanyl-4-(phosphonomethoxy)butoxy]methylphosphonic acid

Systemtic Name: [(2S,3S)-2-(6-aminopurin-9-yl)-3-oxidanyl-4-(phosphonomethoxy)butoxy]methylphosphonic acid Openeye Name: [(2S,3S)-2-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid CAS Name: [(2S,3S)-2-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid IUPAC Name: [(2S,3S)-2-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid Traditional Name: [(2S,3S)-2-adenin-9-yl-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid Formula: C11H19N5O9P2 MolecularWeight: 427.244182

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(COCP(=O)(O)O)C(COCP(=O)(O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@@H](COCP(=O)(O)O)[C@@H](COCP(=O)(O)O)O

InChI

InChI=1S/C11H19N5O9P2/c12-10-9-11(14-3-13-10)16(4-15-9)7(1-24-5-26(18,19)20)8(17)2-25-6-27(21,22)23/h3-4,7-8,17H,1-2,5-6H2,(H2,12,13,14)(H2,18,19,20)(H2,21,22,23)/t7-,8+/m0/s1