1-[3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-2-(1,3-Dithian-2-Yl)Pyrimidin-4-One
[CAS# 73080-24-7]

Identification

• Name: 1-[3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-2-(1,3-Dithian-2-Yl)Pyrimidin-4-One
• Synonyms: 1-[3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-(1,3-Dithian-2-Yl)Pyrimidin-4-One; 1-[3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-(1,3-Dithian-2-Yl)-4-Pyrimidinone; 1-(3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl)-2-(1,3-Dithian-2-Yl)Pyrimidin-4-One
• Molecular Formula: C₁₃H₁₈N₂O₅S₂
• Molecular Weight: 346.42
• CAS Registry Number: 73080-24-7
• SMILES: C(O)C3C(O)C(O)C(N1C=CC(=O)N=C1C2SCCCS2)O3
• InChI: 1S/C13H18N2O5S2/c16-6-7-9(18)10(19)12(20-7)15-3-2-8(17)14-11(15)13-21-4-1-5-22-13/h2-3,7,9-10,12-13,16,18-19H,1,4-6H2
• InChIKey: AFDQPGWEHYBTAF-UHFFFAOYSA-N

Properties

• Density: 1.763g/cm³ (Cal.)
• Boiling point: 628.864°C at 760 mmHg (Cal.)
• Flash point: 334.125°C (Cal.)