Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Phytin 3615-82-5 19234
Structure Other Information
Canonical SMILES C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Mg+2].[Ca+2]
Iso SMILES C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Mg+2].[Ca+2]
InChI InChI=1S/C6H18O24P6.Ca.Mg/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;/q;2*+2/p-12
InChI Key JWJNVODPOMYTLT-UHFFFAOYSA-B
Formula C6H6CaMgO24P6-8
Mol Weight 712.323
XlogP3 0
Charge -8

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Synonyms Information
CAS Name calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
IUPAC Name calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Openeye Name calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Systematic Name calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Tratitional Name calcium magnesium (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate