Neplanocin D
[CAS# 72877-47-5]

Identification

• Name: Neplanocin D
• Synonyms: 9-[(1R,4R,5S)-4,5-Dihydroxy-3-Methylol-1-Cyclopent-2-Enyl]-3H-Purin-6-One; 6H-Purin-6-One, 1,9-Dihydro-9-(4,5-Dihydroxy-3-(Hydroxymethyl)-2-Cyclopenten-1-Yl)-, (1R-(1-Alpha,4-Beta,5-Beta))-; Brn 4880880
• Molecular Formula: C₁₁H₁₂N₄O₄
• Molecular Weight: 264.24
• CAS Registry Number: 72877-47-5
• SMILES: [C@H]3([N]1C2=C(N=C1)C(=O)N=CN2)[C@H](O)[C@H](O)C(=C3)CO
• InChI: 1S/C11H12N4O4/c16-2-5-1-6(9(18)8(5)17)15-4-14-7-10(15)12-3-13-11(7)19/h1,3-4,6,8-9,16-18H,2H2,(H,12,13,19)/t6-,8-,9+/m1/s1
• InChIKey: ZOGIBYIZRGKFQR-VDAHYXPESA-N

Properties

• Density: 1.911g/cm³ (Cal.)
• Boiling point: 682.991°C at 760 mmHg (Cal.)
• Flash point: 366.86°C (Cal.)