2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester
[CAS# 33780-80-2]

Identification

• Name: 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester
• Synonyms: 2,2'-Anhydro-1-(Beta-D-Arabinofuranosyl)Orotic Acid Ethyl Ester; 2,2'-Anhydro-1-(Beta-Arabinofuranosyl)Orotic Acid Ethyl Ester; 6H-Furo(2',3'-4,5)Oxazolo(3,2-A)Pyrimidine-8-Carboxylic Acid, 2,3,3A,9A-Tetrahydro-3-Hydroxy-2-(Hydroxymethyl)-6-Oxo-, Ethyl Ester, (2S-(2Alpha,3Beta,3Abeta,9Abeta))-
• Molecular Formula: C₁₂H₁₄N₂O₇
• Molecular Weight: 298.25
• CAS Registry Number: 33780-80-2
• SMILES: [C@@H]23N1C(=NC(C=C1C(=O)OCC)=O)O[C@@H]2[C@H]([C@@H](O3)CO)O
• InChI: 1S/C12H14N2O7/c1-2-19-11(18)5-3-7(16)13-12-14(5)10-9(21-12)8(17)6(4-15)20-10/h3,6,8-10,15,17H,2,4H2,1H3/t6-,8-,9+,10-/m0/s1
• InChIKey: QUASVQIYZLPFFO-MCNGFCJOSA-N

Properties

• Density: 1.824g/cm³ (Cal.)
• Boiling point: 503.792°C at 760 mmHg (Cal.)
• Flash point: 258.485°C (Cal.)