Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Vitamin B6 8059-24-3 104817

Structure Other Information
Canonical SMILES CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O
Iso SMILES CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O
InChI InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)/p-2
InChI Key RBCOYOYDYNXAFA-UHFFFAOYSA-L
Formula C8H10NO5P-2
Mol Weight 231.142
XlogP3 -0.9
Charge -2

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Synonyms Information
CAS Name (5-hydroxy-4,6-dimethyl-3-pyridinyl)methyl phosphate
IUPAC Name (5-hydroxy-4,6-dimethyl-3-pyridyl)methyl phosphate
Openeye Name (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
Systematic Name (4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl phosphate
Tratitional Name (4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl phosphate