2,8-Diamino-9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)Oxolan-2-Yl]-3H-Purin-6-One
[CAS# 131635-07-9]

Identification

• Name: 2,8-Diamino-9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)Oxolan-2-Yl]-3H-Purin-6-One
• Synonyms: 2,8-Diamino-9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)Tetrahydrofuran-2-Yl]-3H-Purin-6-One; 2,8-Diamino-9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(Iodomethyl)-2-Tetrahydrofuranyl]-3H-Purin-6-One; 8-Amino-5'-Deoxy-5'-Iodoguanosine
• Molecular Formula: C₁₀H₁₃IN₆O₄
• Molecular Weight: 408.16
• CAS Registry Number: 131635-07-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CI)[N]2C3=C(N=C2N)C(=O)N=C(N3)N
• InChI: 1S/C10H13IN6O4/c11-1-2-4(18)5(19)8(21-2)17-6-3(14-10(17)13)7(20)16-9(12)15-6/h2,4-5,8,18-19H,1H2,(H2,13,14)(H3,12,15,16,20)/t2-,4-,5-,8-/m1/s1
• InChIKey: DLCSQZWDPJIZMH-UMMCILCDSA-N

Properties

• Density: 2.863g/cm³ (Cal.)
• Boiling point: 790.696°C at 760 mmHg (Cal.)
• Flash point: 431.997°C (Cal.)