4-Amino-1-[(1S,5R)-2-(Hydroxymethyl)-3-Oxabicyclo[3.1.0]Hexan-4-Yl]Pyrimidin-2-One
[CAS# 131347-68-7]

Identification

• Name: 4-Amino-1-[(1S,5R)-2-(Hydroxymethyl)-3-Oxabicyclo[3.1.0]Hexan-4-Yl]Pyrimidin-2-One
• Synonyms: 4-Amino-1-[(1S,5R)-2-(Hydroxymethyl)-3-Oxabicyclo[3.1.0]Hexan-4-Yl]-2-Pyrimidinone; 4-Amino-1-[(1S,5R)-2-Methylol-3-Oxabicyclo[3.1.0]Hexan-4-Yl]Pyrimidin-2-One; 2',3'-Dideoxy-2',3'-Alpha-Methanocytidine
• Molecular Formula: C₁₀H₁₃N₃O₃
• Molecular Weight: 223.23
• CAS Registry Number: 131347-68-7
• SMILES: [C@H]12[C@H](C1)C(OC2N3C(=O)N=C(N)C=C3)CO
• InChI: 1S/C10H13N3O3/c11-8-1-2-13(10(15)12-8)9-6-3-5(6)7(4-14)16-9/h1-2,5-7,9,14H,3-4H2,(H2,11,12,15)/t5-,6+,7?,9?/m0/s1
• InChIKey: RRGOIFKSCWKADS-YRQATFFOSA-N

Properties

• Density: 1.839g/cm³ (Cal.)
• Boiling point: 436.353°C at 760 mmHg (Cal.)
• Flash point: 217.699°C (Cal.)