6,9-Diamino-1-(6-Amino-9H-Purin-9-Yl)-1,5,6,7,8,9-Hexadeoxy-Dec-4-Enofuranuronic Acid
[CAS# 66753-47-7]

Identification

• Name: 6,9-Diamino-1-(6-Amino-9H-Purin-9-Yl)-1,5,6,7,8,9-Hexadeoxy-Dec-4-Enofuranuronic Acid
• Synonyms: (6E)-2,5-Diamino-6-[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Ylidene]Hexanoic Acid; (6E)-2,5-Diamino-6-[5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranylidene]Hexanoic Acid; (6E)-2,5-Diamino-6-[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Ylidene]Hexanoic Acid
• Molecular Formula: C₁₅H₂₁N₇O₅
• Molecular Weight: 379.37
• CAS Registry Number: 66753-47-7
• SMILES: C1=NC3=C([N]1C2OC(=C/C(CCC(C(O)=O)N)N)/C(C2O)O)N=CN=C3N
• InChI: 1S/C15H21N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h3-7,10-11,14,23-24H,1-2,16-17H2,(H,25,26)(H2,18,19,20)/b8-3+
• InChIKey: YNKCTZQHSHSLNN-FPYGCLRLSA-N

Properties

• Density: 1.903g/cm³ (Cal.)
• Boiling point: 819.895°C at 760 mmHg (Cal.)
• Flash point: 449.656°C (Cal.)