S-Neplanocylmethionine
[CAS# 90700-92-8]

Identification

• Name: S-Neplanocylmethionine
• Synonyms: 2-Amino-5-[[3-(6-Amino-9-Purinyl)-4,5-Dihydroxy-1-Cyclopentenyl]Methylsulfonio]Pentanoate; 2-Amino-5-[[3-(6-Aminopurin-9-Yl)-4,5-Dihydroxy-1-Cyclopentenyl]Methylsulfonio]Valerate; S-Neplanocylmethionine
• Molecular Formula: C₁₆H₂₂N₆O₄S
• Molecular Weight: 394.45
• CAS Registry Number: 90700-92-8
• SMILES: [SH+](CC3=CC([N]1C2=C(N=C1)C(=NC=N2)N)C(O)C3O)CCCC(N)C([O-])=O
• InChI: 1S/C16H22N6O4S/c17-9(16(25)26)2-1-3-27-5-8-4-10(13(24)12(8)23)22-7-21-11-14(18)19-6-20-15(11)22/h4,6-7,9-10,12-13,23-24H,1-3,5,17H2,(H,25,26)(H2,18,19,20)
• InChIKey: HZQGNPXDXPJJIS-UHFFFAOYSA-N

Properties

• Density: 1.74g/cm³ (Cal.)
• Boiling point: 716.3°C at 760 mmHg (Cal.)
• Flash point: 387°C (Cal.)