(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol

Systemtic Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol Openeye Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol CAS Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-mercapto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-2-ium-7-ol IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol Traditional Name: (4aR,6R,7R,7aS)-6-adenin-9-yl-2-hydroxy-2-mercapto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-2-ium-7-ol Formula: C10H13N5O5PS+ MolecularWeight: 346.279481

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O[P+](O1)(O)S

Isomeric SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O[P+](O1)(O)S

InChI

InChI=1S/C10H13N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16-17,22H,1H2,(H2,11,12,13)/q+1/t4-,6-,7-,10-,21?/m1/s1