Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Rencal 7205-52-9 23724990
Structure Other Information
Canonical SMILES [H+].[H+].[H+].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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Iso SMILES [H+].[H+].[H+].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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI InChI=1S/C6H18O24P6.9Na/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;9*+1/p-9
InChI Key FENRSEGZMITUEF-UHFFFAOYSA-E
Formula C6H9Na9O24P6
Mol Weight 857.872
XlogP3 0
Charge 0

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Synonyms Information
CAS Name nonasodium; hydron; (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
IUPAC Name nonasodium; hydron; (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Openeye Name nonasodium; hydron; (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Systematic Name nonasodium; hydron; (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
Tratitional Name nonasodium; hydron; (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate