Registration Dossier
Registration Dossier
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EC number: 201-506-6 | CAS number: 83-86-3
Reference substances
- IUPAC name:
- fytic acid
Inventory
- EC number:
- 201-506-6
- EC name:
- Fytic acid
- CAS number:
- 83-86-3
- CAS number:
- 83-86-3
Synonyms
- Names:
- myo-Inositol, hexakis(dihydrogen phosphate)
- Identifier:
- IUPAC name
- (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
- Identifier:
- IUPAC name
- Esters of phosphoric acid with myo-Inositol, plant derived
- Identifier:
- IUPAC name
- cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
- Identifier:
- IUPAC name
- {[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
- Identifier:
- IUPAC name
- {[(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
- Identifier:
- other: InChl
- InChI=1/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)
- Identifier:
- other: SMILES notation
- O=P(O)(O)O[C@@H]1[C@@H](OP(O)(=O)O)[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)O)[C@H]1OP(O)(=O)O
- Identifier:
- other: SMILES notation
- OP(=O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
- Identifier:
- other: InChl
- Phytic Acid
- Esters of phosphoric acid with myo-Inositol, plant derived (UVCB) Old IUPAC name for monoconstituent substance: (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)]
Molecular and structural information
- Molecular formula:
- C6H18O24P6
- Molecular weight:
- >= 580.06 - <= 660.04
- SMILES notation:
- UVCB
- InChl:
- 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)/t1-,2-,3-,4+,5-,6-
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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