Cytidine 5'-(trihydrogen diphosphate), P'-(2-(formylhydroxyamino)ethyl) ester
[CAS# 126986-25-2]

Identification

• Name: Cytidine 5'-(trihydrogen diphosphate), P'-(2-(formylhydroxyamino)ethyl) ester
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [2-(Formyl-Hydroxy-Amino)Ethoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [2-(Formyl-Hydroxyamino)Ethoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [2-(Formyl-Hydroxy-Amino)Ethoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₂H₂₀N₄O₁₃P₂
• Molecular Weight: 490.26
• CAS Registry Number: 126986-25-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OCCN(O)C=O)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C12H20N4O13P2/c13-8-1-2-16(12(20)14-8)11-10(19)9(18)7(28-11)5-27-31(24,25)29-30(22,23)26-4-3-15(21)6-17/h1-2,6-7,9-11,18-19,21H,3-5H2,(H,22,23)(H,24,25)(H2,13,14,20)/t7-,9-,10-,11-/m1/s1
• InChIKey: BWGMNVJUNKPELE-QCNRFFRDSA-N

Properties

• Density: 2.095g/cm³ (Cal.)
• Boiling point: 811.049°C at 760 mmHg (Cal.)
• Flash point: 444.307°C (Cal.)