Neplanocin A
[CAS# 72877-50-0]

Identification

• Name: Neplanocin A
• Synonyms: (1S,2R,5R)-5-(6-Amino-9-Purinyl)-3-(Hydroxymethyl)Cyclopent-3-Ene-1,2-Diol; (1S,2R,5R)-5-(6-Aminopurin-9-Yl)-3-Methylol-Cyclopent-3-Ene-1,2-Diol; Nsc 316458
• Molecular Formula: C₁₁H₁₃N₅O₃
• Molecular Weight: 263.26
• CAS Registry Number: 72877-50-0
• SMILES: [C@@H]3([N]2C1=C(C(=NC=N1)N)N=C2)C=C(CO)[C@H]([C@H]3O)O
• InChI: 1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
• InChIKey: XUGWUUDOWNZAGW-VDAHYXPESA-N

Properties

• Density: 1.911g/cm³ (Cal.)
• Boiling point: 632.553°C at 760 mmHg (Cal.)
• Flash point: 336.356°C (Cal.)