Neplanocin C
[CAS# 72877-48-6]

Identification

• Name: Neplanocin C
• Synonyms: (1S,2S,3S,4S,5R)-4-(6-Amino-9-Purinyl)-1-(Hydroxymethyl)-6-Oxabicyclo[3.1.0]Hexane-2,3-Diol; (1S,2S,3S,4S,5R)-4-(6-Aminopurin-9-Yl)-1-Methylol-6-Oxabicyclo[3.1.0]Hexane-2,3-Diol; Neplanocin C
• Molecular Formula: C₁₁H₁₃N₅O₄
• Molecular Weight: 279.25
• CAS Registry Number: 72877-48-6
• SMILES: [C@@]12([C@H]([C@H]([C@@H]([C@H]1O2)[N]3C=NC4=C3N=CN=C4N)O)O)CO
• InChI: 1S/C11H13N5O4/c12-9-4-10(14-2-13-9)16(3-15-4)5-6(18)7(19)11(1-17)8(5)20-11/h2-3,5-8,17-19H,1H2,(H2,12,13,14)/t5-,6-,7-,8+,11-/m0/s1
• InChIKey: UTCNWBUUZPUVLH-GBSPZJCNSA-N

Properties

• Density: 2.306g/cm³ (Cal.)
• Boiling point: 675.351°C at 760 mmHg (Cal.)
• Flash point: 362.239°C (Cal.)