[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(methoxymethyl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(methoxymethyl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-(methoxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate Formula: C11H17N5O10P2 MolecularWeight: 441.227702

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H17N5O10P2/c1-23-2-5-8(25-28(21,22)26-27(18,19)20)7(17)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1