30403-03-3 ((1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (1:?))

快速询单

结构式：

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (1:?)MOL文件

CAS号：

30403-03-3

英文名称：

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (1:?)

分子式：

C₆H₅GaO₇

分子量：

258.822702169418

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (1:?)(30403-03-3)名称与标识符

名称

英文别名：

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (1:?);1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (9CI);Gallium citrate;gallium;2-hydroxypropane-1,2,3-tricarboxylate;CITRIC ACID, GALLIUM SALT (1:1);(68)Ga-citrate;DTXSID50952742;30403-03-3;NS00083529;2-Hydroxy-1,2,3-propanetricarboxylic acid gallium salt (1:1);27905-02-8;gallium 2-hydroxypropane-1,2,3-tricarboxylate;UNII-HT6C49L0ZP;HT6C49L0ZP;SCHEMBL37799;EINECS 248-721-1;GALLIUM CITRATE [MI];NSC-15011;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, gallium salt;Citric acid, gallium(II) salt;NSC 15011;

标识符

InChIKey：

YEEGWNXDUZONAA-UHFFFAOYSA-K

Inchi：

1S/C6H8O7.Ga/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3

SMILES：

[Ga+3].OC(C(=O)[O-])(CC(=O)[O-])CC(=O)[O-]

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, gallium salt (1:?)(30403-03-3)物化性质

实验特性

沸点 : 309.6°Cat760mmHg
闪点 : 155.2°C

计算特性

精确分子量 : 257.929109
氢键供体数量 : 1
氢键受体数量 : 7
可旋转化学键数量 : 2
同位素质量 : 257.929109
重原子数量 : 14
复杂度 : 211
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 2
拓扑分子极性表面积 : 141

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