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Substance Name: Carbamic acid, sulfo-, C-(((3aS,4R,9R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester
RN: 80173-30-4
InChIKey: OKSSKVHGKYJNLL-ORQQJGPTSA-N

Molecular Formula

  • C10-H17-N7-O11-S2

Molecular Weight

  • 475.4143
 
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Names and Synonyms

  • Carbamic acid, sulfo-, C-(((3aS,4R,9R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester

Registry Numbers

CAS Registry Number

  • 80173-30-4

System Generated Number

  • 0080173304

Structure Descriptors

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

InChIKey

OKSSKVHGKYJNLL-ORQQJGPTSA-N

Smiles

NC1=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N=C(N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)C23N1