Guanosine Diphosphate 2-Deoxy-2-Fluoromannose Ester
[CAS# 67341-46-2]

Identification

• Name: Guanosine Diphosphate 2-Deoxy-2-Fluoromannose Ester
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3R,4S,5S,6R)-3-Fluoro-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(2R,3R,4S,5S,6R)-3-Fluoro-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3R,4S,5S,6R)-3-Fluoro-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₆H₂₄FN₅O₁₅P₂
• Molecular Weight: 607.34
• CAS Registry Number: 67341-46-2
• SMILES: [C@@H]4(O[P](O[P](OC[C@@H]3[C@@H](O)[C@@H](O)[C@H]([N]2C1=C(C(N=C(N1)N)=O)N=C2)O3)(=O)O)(=O)O)[C@H](F)[C@@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C16H24FN5O15P2/c17-6-10(26)8(24)4(1-23)35-15(6)36-39(31,32)37-38(29,30)33-2-5-9(25)11(27)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
• InChIKey: XCTFCJLBVWFRGN-MZLYXUEVSA-N

Properties

• Density: 2.466g/cm³ (Cal.)
• Boiling point: 1037.891°C at 760 mmHg (Cal.)
• Flash point: 581.495°C (Cal.)