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Reference substances

Reference substances

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General information

Inventory

EC number:
201-506-6
EC name:
Fytic acid
CAS number:
83-86-3

No inventory information available

Reference substance information

IUPAC name:
{[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Synonyms
Names:
myo-Inositol, hexakis(dihydrogen phosphate)
Identifier:
CAS number
83-86-3
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
{[(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
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)]

CAS information

CAS number:
83-86-3

Molecular and structural information

Molecular formula:
C6H18O24P6
Molecular weight:
>= 580.06 - <= 660.04
SMILES notation:
UVCB
InChl:
Phytic Acid
Structural formula:
Chemical structure