[(2R,3R)-2-(2-azanyl-6-cyclopropyl-purin-9-yl)-3-oxidanyl-4-(phosphonomethoxy)butoxy]methylphosphonic acid

Systemtic Name: [(2R,3R)-2-(2-azanyl-6-cyclopropyl-purin-9-yl)-3-oxidanyl-4-(phosphonomethoxy)butoxy]methylphosphonic acid Openeye Name: [(2R,3R)-2-(2-amino-6-cyclopropyl-purin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid CAS Name: [(2R,3R)-2-(2-amino-6-cyclopropyl-9-purinyl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid IUPAC Name: [(2R,3R)-2-(2-amino-6-cyclopropylpurin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid Traditional Name: [(2R,3R)-2-(2-amino-6-cyclopropyl-purin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid Formula: C14H23N5O9P2 MolecularWeight: 467.308042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3C(=NC(=N2)N)N(C=N3)C(COCP(=O)(O)O)C(COCP(=O)(O)O)O

Isomeric SMILES

C1CC1C2=C3C(=NC(=N2)N)N(C=N3)[C@H](COCP(=O)(O)O)[C@H](COCP(=O)(O)O)O

InChI

InChI=1S/C14H23N5O9P2/c15-14-17-11(8-1-2-8)12-13(18-14)19(5-16-12)9(3-27-6-29(21,22)23)10(20)4-28-7-30(24,25)26/h5,8-10,20H,1-4,6-7H2,(H2,15,17,18)(H2,21,22,23)(H2,24,25,26)/t9-,10+/m1/s1