PFAS
全球PFAS筛查数据库
植酸 钙盐(PHYTIC ACID CALCIUM)
calcium,magnesium,[(1S,2S,3S,4R,5S,6S)-2,3,4-tris[[hydroxy(oxido) phosphoryl]oxy]-5,6-diphosphonooxy-cyclohexyl] hydrogen phosphate<wbr
CAS号: 23183-60-0
IUPAC名称: hexacalcium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
分子式: C6H14CaMgO24P6
分子量: 720.38700
InChI: 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
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-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
EINECS: -
