2-Amino-9-[(2S,3S,4R)-2-Fluoro-4-Hydroxy-3-(Hydroxymethyl)Cyclopentyl]-3H-Purin-6-One
[CAS# 131043-40-8]

Identification

• Name: 2-Amino-9-[(2S,3S,4R)-2-Fluoro-4-Hydroxy-3-(Hydroxymethyl)Cyclopentyl]-3H-Purin-6-One
• Synonyms: 2-Amino-9-[(2S,3S,4R)-2-Fluoro-4-Hydroxy-3-Methylol-Cyclopentyl]-3H-Purin-6-One; 2-Afhcp; 2-Amino-1,9-Dihydro-9-(2-Fluoro-4-Hydroxy-3-(Hydroxymethyl)Cyclopentyl)-6H-Purin-6-One
• Molecular Formula: C₁₁H₁₄FN₅O₃
• Molecular Weight: 283.26
• CAS Registry Number: 131043-40-8
• SMILES: [N]1(C=NC2=C1NC(=NC2=O)N)C3[C@H]([C@H]([C@@H](C3)O)CO)F
• InChI: 1S/C11H14FN5O3/c12-7-4(2-18)6(19)1-5(7)17-3-14-8-9(17)15-11(13)16-10(8)20/h3-7,18-19H,1-2H2,(H3,13,15,16,20)/t4-,5?,6+,7-/m0/s1
• InChIKey: HZYCFCXWLCRNAY-LFNCRRRLSA-N

Properties

• Density: 2.014g/cm³ (Cal.)
• Boiling point: 665.658°C at 760 mmHg (Cal.)
• Flash point: 356.377°C (Cal.)