diantimony(3+) ion dibarium(2+) ion pentakis(2,3-dihydroxybutanedioate)|BARIUM ANTIMONY TARTRATE|diantimony(3+) dibarium(2+) pentatartrate

基本信息

化学结构

分子式

C₂₀H₂₀Ba₂O₃₀Sb₂

分子量

1258.5288

精确质量

1257.62206324

电荷

InChI

InChI=1S/5C4H6O6.2Ba.2Sb/c5*5-1(3(7)8)2(6)4(9)10;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;/q;;;;;2*+2;2*+3/p-10

InChIKey

BYONAXBLARPURO-UHFFFAOYSA-D

Canonic Smiles

OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].[Sb+3].[Sb+3].[Ba+2].[Ba+2]

Isomeric Smiles

[Sb+3].[Sb+3].[Ba+2].[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-]

计算属性

JChem

Acid pKa

2.719041

质子受体

质子供体

LogD (pH = 5.5)

-5.323427

LogD (pH = 7.4)

-7.890869

Log P

-1.8287998