[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-4-phosphonooxy-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-4-phosphonooxy-oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-4-phosphonooxy-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-4-phosphonooxy-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-4-phosphonooxyoxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3S,5R)-5-adenin-9-yl-2-methyl-4-phosphonooxy-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H15N5O9P2 MolecularWeight: 411.201722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O9P2/c1-4-6(23-25(16,17)18)7(24-26(19,20)21)10(22-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10H,1H3,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t4-,6+,7?,10-/m1/s1