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Phytin
[CAS# 7776-28-5]

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Identification
Classification API >> Water, electrolyte and acid-base balance regulator >> Electrolyte balance regulator
Name Phytin
Synonyms Hexacalcium (2,3,4,5,6-Pentaphosphatocyclohexyl) Phosphate; Hsdb 962
Molecular Structure CAS#: 7776-28-5, Phytin
Molecular Formula C6H6Ca6O24P6
Molecular Weight 888.42
CAS Registry Number 7776-28-5
EINECS 231-897-9
SMILES [Ca++].[Ca++].O=[P](OC1C(C(C(O[P](=O)([O-])[O-])C(C1O[P](=O)([O-])[O-])O[P](=O)([O-])[O-])O[P](=O)([O-])[O-])O[P](=O)([O-])[O-])([O-])[O-].[Ca++].[Ca++].[Ca++].[Ca++]
InChI 1S/C6H18O24P6.6Ca/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;6*+2/p-12
InChIKey WPEXVRDUEAJUGY-UHFFFAOYSA-B
Properties
Boiling point 1190.7°C at 760 mmHg (Cal.)
Flash point 673.9°C (Cal.)
Market Analysis Reports
List of Reports Available for Phytin
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