{2-[(3aS,4R,6Z)-2-Amino-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-3a,4,5,6-tetrahydro-3H,10H-pyrrolo[1,2-c]purin-4-yl]-1,1-dihydroxyethyl}sulfamic acid
[CAS# 89614-45-9]

Identification

• Name: {2-[(3aS,4R,6Z)-2-Amino-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-3a,4,5,6-tetrahydro-3H,10H-pyrrolo[1,2-c]purin-4-yl]-1,1-dihydroxyethyl}sulfamic acid
• Synonyms: Carbamic acid, sulfo-, C-(((3aS,4R,9R,10aS)-2-amino-3a,4,5,6,9,10-hexahydro-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester
• Molecular Formula: C₁₀H₁₇N₇O₁₂S₂
• Molecular Weight: 491.41
• CAS Registry Number: 89614-45-9
• SMILES: O=S(=O)(O)NC(O)(O)C[C@H]1N(O)C(=[N@H])N3\C=C(\OS(=O)(=O)O)C(O)(O)C32/N=C(\N[C@@H]12)N
• InChI: 1S/C10H17N7O12S2/c11-6-13-5-3(1-8(18,19)15-30(23,24)25)17(22)7(12)16-2-4(29-31(26,27)28)10(20,21)9(5,16)14-6/h2-3,5,12,15,18-22H,1H2,(H3,11,13,14)(H,23,24,25)(H,26,27,28)/b12-7-/t3-,5+,9?/m1/s1
• InChIKey: XBEZMTRSKAORBL-GINKDYPASA-N

Properties

• Density: 2.71g/cm³ (Cal.)