Sinefungin
[CAS# 58944-73-3]

Identification

• Name: Sinefungin
• Synonyms: (2S,5S)-2,5-Diamino-6-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Hexanoic Acid; (2S,5S)-2,5-Diamino-6-[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Hexanoic Acid; (2S,5S)-2,5-Diamino-6-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Hexanoic Acid
• Molecular Formula: C₁₅H₂₃N₇O₅
• Molecular Weight: 381.39
• CAS Registry Number: 58944-73-3
• SMILES: [C@@H]3([N]2C1=C(C(=NC=N1)N)N=C2)O[C@H](C[C@H](CC[C@@H](C(O)=O)N)N)[C@H]([C@H]3O)O
• InChI: 1S/C15H23N7O5/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/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
• InChIKey: LMXOHSDXUQEUSF-YECHIGJVSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 783.2±70.0°C at 760 mmHg (Cal.)
• Flash point: 427.5±35.7°C (Cal.)