[(3aS,4R,9R,10aS)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate; [(3aS,4R,9S,10aS)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

Systemtic Name: [(3aS,4R,9R,10aS)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate; [(3aS,4R,9S,10aS)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate Openeye Name: [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate; [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate CAS Name: carbamic acid [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester; carbamic acid [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester IUPAC Name: [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate; [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate Traditional Name: carbamic acid [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfoxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester; carbamic acid [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfoxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl ester Formula: C20H34N14O16S2 MolecularWeight: 790.69816

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C23N1C(=NC(C2NC(=N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O.C1C(C(C23N1C(=NC(C2NC(=N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O

Isomeric SMILES

C1[C@H](C([C@@]23N1C(=N[C@H]([C@@H]2NC(=N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O.C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2NC(=N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O

InChI

InChI=1S/2C10H17N7O8S/c2*11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h2*3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4+,5-,9-;3-,4-,5-,9-/m00/s1