1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-[[(Z)-Octadec-9-Enyl]Amino]Pyrimidin-2-One
[CAS# 130252-71-0]

Identification

• Name: 1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-[[(Z)-Octadec-9-Enyl]Amino]Pyrimidin-2-One
• Synonyms: 1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-[[(Z)-Octadec-9-Enyl]Amino]Pyrimidin-2-One; 1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4-[[(Z)-Octadec-9-Enyl]Amino]-2-Pyrimidinone; 1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-4-[[(Z)-Octadec-9-Enyl]Amino]Pyrimidin-2-One
• Molecular Formula: C₂₇H₄₇N₃O₅
• Molecular Weight: 493.69
• CAS Registry Number: 130252-71-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO)N2C(=O)N=C(NCCCCCCCC\C=C/CCCCCCCC)C=C2
• InChI: 1S/C27H47N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-23-18-20-30(27(34)29-23)26-25(33)24(32)22(21-31)35-26/h9-10,18,20,22,24-26,31-33H,2-8,11-17,19,21H2,1H3,(H,28,29,34)/b10-9-/t22-,24-,25+,26-/m1/s1
• InChIKey: LHEGPXCSOZGQCV-AXQAKGHFSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 655.092°C at 760 mmHg (Cal.)
• Flash point: 349.987°C (Cal.)