[(2R,3S,4R,5R)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate compd. with N,N-diethylethanamine
[CAS# 128583-83-5]

Identification

• Name: [(2R,3S,4R,5R)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate compd. with N,N-diethylethanamine
• Synonyms: [(2R,3S,4R,5R)-5-(3-Carbamoyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; N,N-Diethylethanamine; [(2R,3S,4R,5R)-5-(3-Carbamoyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; N,N-Diethylethanamine; [(2R,3S,4R,5R)-5-(3-Carbamoyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; Triethylamine
• Molecular Formula: C₁₄H₂₈N₅O₈P
• Molecular Weight: 425.38
• CAS Registry Number: 128583-83-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]2N=C(N=C2)C(=O)N.C(N(CC)CC)C
• InChI: 1S/C8H13N4O8P.C6H15N/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18;1-4-7(5-2)6-3/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18);4-6H2,1-3H3/t3-,4-,5-,8-;/m1./s1
• InChIKey: XYIGBHYIYJWPFH-UHSSARMYSA-N

Properties

• Boiling point: 767.3°C at 760 mmHg (Cal.)
• Flash point: 417.8°C (Cal.)