Neplanocin B
[CAS# 72877-49-7]

Identification

• Name: Neplanocin B
• Synonyms: (1R,2R,3S,4S,5S)-3-(6-Amino-9-Purinyl)-1-(Hydroxymethyl)-6-Oxabicyclo[3.1.0]Hexane-2,4-Diol; (1R,2R,3S,4S,5S)-3-(6-Aminopurin-9-Yl)-1-Methylol-6-Oxabicyclo[3.1.0]Hexane-2,4-Diol; 6-Oxabicyclo(3.1.0)Hexane-2,4-Diol, 3-(6-Amino-9H-Purin-9-Yl)-1-(Hydroxymethyl)-
• Molecular Formula: C₁₁H₁₃N₅O₄
• Molecular Weight: 279.25
• CAS Registry Number: 72877-49-7
• SMILES: [C@]12([C@@H]([C@H]([C@@H]([C@@H]1O2)O)[N]3C=NC4=C3N=CN=C4N)O)CO
• InChI: 1S/C11H13N5O4/c12-9-4-10(14-2-13-9)16(3-15-4)5-6(18)8-11(1-17,20-8)7(5)19/h2-3,5-8,17-19H,1H2,(H2,12,13,14)/t5-,6-,7+,8-,11+/m0/s1
• InChIKey: KFVDGQIFGNKMLJ-WELJQELGSA-N

Properties

• Density: 2.306g/cm³ (Cal.)
• Boiling point: 704.686°C at 760 mmHg (Cal.)
• Flash point: 379.98°C (Cal.)