(2S,3S,4R,5R)-5-{6-[(4-Amino-3-Iodobenzyl)Amino]-9H-Purin-9-Yl}-3,4-Dihydroxy-N-Methyltetrahydro-2-Furancarboxamide
[CAS# 152918-27-9]

Identification

• Name: (2S,3S,4R,5R)-5-{6-[(4-Amino-3-Iodobenzyl)Amino]-9H-Purin-9-Yl}-3,4-Dihydroxy-N-Methyltetrahydro-2-Furancarboxamide
• Synonyms: (2S,3S,4R,5R)-5-(6-{[(4-amino-3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide; (2S,3S,4R,5R)-5-{6-[(4-amino-3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide; 1-[6-[[(4-Amino-3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-β-D-ribofuranuronamide
• Molecular Formula: C₁₈H₂₀IN₇O₄
• Molecular Weight: 525.30
• CAS Registry Number: 152918-27-9
• SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=C(C=C4)N)I)O)O
• InChI: 1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1
• InChIKey: LOGOEBMHHXYBID-MOROJQBDSA-N

Properties

• Density: 2.1±0.1g/cm³ (Cal.)
• Refractive index: 1.842 (Cal.)