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

Systemtic Name: [(3aS,4R,9R)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid Openeye Name: [(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid CAS Name: [[(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methoxy-oxomethyl]sulfamic acid IUPAC Name: [(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid Traditional Name: [(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfoxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid Formula: C10H17N7O11S2 MolecularWeight: 475.41228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H](C(C23N1C(=N[C@H]([C@@H]2NC(=N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O

InChI

InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4+,5-,9?/m0/s1