2-酮-D-谷氨酸半钙盐

CAS号
1040352-40-6 ;3470-37-9
CCD编号
CCD00073520
分子式
C12 H18 Ca O14 . H2 O
分子量
444.353

基本信息

产品名称: 2-酮-D-谷氨酸半钙盐
CAS: 1040352-40-6 ;3470-37-9
中文同义词: 2-酮-D-谷氨酸半钙盐
英文同义词: 2-KETO-D-GLUCONIC ACID HEMICALCIUM SALT HYDRATE ; D-ARABINO-2-HEXULOPYRANOSONIC ACID HEMICALCIUM SALT HYDRATE ; CALCIUM 2-KETO-D-GLUCONATE HYDRATE ; 2-KETO-D-GLUCONIC ACID HEMICALCIUM SALT MONOHYDRATE ; (D-ARABINO-2-HEXULOPYRANOSONIC ACID HEMICALCIUM SALT MONOHYDRATE)
MDL号: MFCD00149104
氢键受体数量: 14
氢键供体数量: 8
Smile: C([C@H]([C@H]([C@@H](C(=O)C(=O)O[Ca]OC(=O)C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O.O
InChi: InChI=1S/2C6H10O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-4,7-10H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+;;/m11../s1
InChiKey: InChIKey=LBTJSFDOKRLTMQ-LWDDDOIUSA-L

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