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O(4)-Isopropylthymidine 5'-phosphate [100515-08-0]

 
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Identification
Copyright
CAS # 100515-08-0, O(4)-Isopropylthymidine 5'-phosphate
Name
O(4)-Isopropylthymidine 5'-phosphate
Synonyms
[(2R,3S,5R)-3-Hydroxy-5-(4-Isopropoxy-5-Methyl-2-Oxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Isopropoxy-5-Methyl-2-Oxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Isopropoxy-2-Keto-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
Molecular Formula
C13H23N2O14P3
Molecular Weight 524.25
CAS Registry Number
100515-08-0
SMILES
[C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(OC(C)C)C(=C2)C
InChI
1S/C13H23N2O14P3/c1-7(2)26-12-8(3)5-15(13(17)14-12)11-4-9(16)10(27-11)6-25-31(21,22)29-32(23,24)28-30(18,19)20/h5,7,9-11,16H,4,6H2,1-3H3,(H,21,22)(H,23,24)(H2,18,19,20)/t9-,10+,11+/m0/s1
InChIKey JFBLFQYPGSJNIC-HBNTYKKESA-N
down Properties
Desity 1.965g/cm3 (Cal.)  ref.
Boiling point 750.731°C at 760 mmHg (Cal.)  ref.
Flash point 407.827°C (Cal.)  ref.
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