Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Phytic acid 83-86-3 890
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
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
InChI InChI=1S/C6H18O24P6/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)
InChI Key IMQLKJBTEOYOSI-UHFFFAOYSA-N
Formula C6H18O24P6
Mol Weight 660.035
XlogP3 -10.3
Charge 0

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Synonyms Information
CAS Name (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
IUPAC Name (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
Openeye Name (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
Systematic Name (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
Tratitional Name (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate