1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Hydroxy-1,3-Diazinan-2-One
[CAS# 5627-05-4]

Identification

• Name: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Hydroxy-1,3-Diazinan-2-One
• Synonyms: 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Hexahydropyrimidine-2,4-Dione; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Hexahydropyrimidine-2,4-Dione; 1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-5,6-Dihydrouracil
• Molecular Formula: C₉H₁₄N₂O₆
• Molecular Weight: 246.22
• CAS Registry Number: 5627-05-4
• SMILES: [C@H]2(N1C(NC(CC1)=O)=O)[C@@H]([C@@H]([C@H](O2)CO)O)O
• InChI: 1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
• InChIKey: ZPTBLXKRQACLCR-XVFCMESISA-N

Properties

• Density: 1.615g/cm³ (Cal.)

References

• (1): Tetsuo Tokiwano, Hiroaki Watanabe, Takashi Seo and Hideaki Oikawa. Unprecedented biological cyclopropanation in the biosynthesis of FR-900848, Chem. Commun., 2008, 6016.