Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Phytate sodium	7205-52-9	23609

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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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-].[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 [2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxycyclohexyl] phosphate
IUPAC Name	nonasodium [2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxy-cyclohexyl] phosphate
Openeye Name	nonasodium [2,3,4-tris[[hydroxy(oxido)phosphoryl]oxy]-5,6-diphosphonatooxycyclohexyl] phosphate
Systematic Name	nonasodium [2,3,4-tris[[oxidanidyl(oxidanyl)phosphoryl]oxy]-5,6-diphosphonatooxy-cyclohexyl] phosphate
Tratitional Name	nonasodium [2,3,4-tris[[oxidanidyl(oxidanyl)phosphoryl]oxy]-5,6-diphosphonatooxy-cyclohexyl] phosphate