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5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4,4-Tricarboxylic Acid
[CAS# 126706-33-0]

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Identification
Name 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4,4-Tricarboxylic Acid
Synonyms 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Pyrrolidine-2,4,4-Tricarboxylic Acid; 4-Carboxy-5-(Pyridyloxy-5'-Phosphate)Proline; Cppp
Molecular Structure CAS#: 126706-33-0, 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4,4-Tricarboxylic Acid
Molecular Formula C14H17N2O11P
Molecular Weight 420.27
CAS Registry Number 126706-33-0
SMILES C1=C(C(=C(C(=N1)C)O)C2NC(CC2(C(=O)O)C(=O)O)C(=O)O)CO[P](=O)(O)O
InChI 1S/C14H17N2O11P/c1-5-9(17)8(6(3-15-5)4-27-28(24,25)26)10-14(12(20)21,13(22)23)2-7(16-10)11(18)19/h3,7,10,16-17H,2,4H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H2,24,25,26)
InChIKey FWQTWRXMADAWFI-UHFFFAOYSA-N
Properties
Density 1.797g/cm3 (Cal.)
Boiling point 758.91°C at 760 mmHg (Cal.)
Flash point 412.774°C (Cal.)
Market Analysis Reports
List of Reports Available for 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4,4-Tricarboxylic Acid
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