Neplanocin F
[CAS# 72877-51-1]

Identification

• Name: Neplanocin F
• Synonyms: (1R,2S,3S)-2-(6-Amino-9-Purinyl)-4-(Hydroxymethyl)Cyclopent-4-Ene-1,3-Diol; (1R,2S,3S)-2-(6-Aminopurin-9-Yl)-4-Methylol-Cyclopent-4-Ene-1,3-Diol; 2-(6-Amino-9H-Purin-9-Yl)-4-(Hydroxymethyl)-4-Cyclopentene-1,3-Diol
• Molecular Formula: C₁₁H₁₃N₅O₃
• Molecular Weight: 263.26
• CAS Registry Number: 72877-51-1
• SMILES: [C@@H]3([N]1C2=C(N=C1)C(=NC=N2)N)[C@@H](O)C(=C[C@H]3O)CO
• InChI: 1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)8-6(18)1-5(2-17)9(8)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8+,9+/m1/s1
• InChIKey: QTTPSWNJDDVBIP-YEPSODPASA-N

Properties

• Density: 1.911g/cm³ (Cal.)
• Boiling point: 673.034°C at 760 mmHg (Cal.)
• Flash point: 360.838°C (Cal.)