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

Systemtic Name: [(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-phosphonooxy-oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-phosphonooxy-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-phosphonooxy-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-phosphonooxyoxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4S)-2-adenin-9-yl-4-phosphonooxy-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C9H13N5O9P2 MolecularWeight: 397.175142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C9H13N5O9P2/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(23-25(18,19)20)4(1-21-9)22-24(15,16)17/h2-4,6,9H,1H2,(H2,10,11,12)(H2,15,16,17)(H2,18,19,20)/t4-,6+,9+/m0/s1