| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| C110859-500g |
500g |
现货  |
|
| 别名 | D-葡萄糖酸钙盐一水合物,葡萄酸钙一水合物 |
|---|---|
| 英文别名 | AKOS026749888 | FT-0652502 | A836564 | A820114 | calcium 2,3,4,5,6-pentahydroxyhexanoate | Calcium D-gluconate;Gluconic acid hemicalcium salt | calcium;2,3,4,5,6-pentahydroxyhexanoate | FT-0623395 | calciumgluconate | A812525 | calcium 2,3,4,5,6-pentakis( |
| 规格或纯度 | PharmPure™, USP |
| 英文名称 | Calcium Gluconate Monohydrate |
| 储存温度 | 干燥 |
| 运输条件 | 常规运输 |
| 产品介绍 |
溶于水（3g/100ml，20℃），易溶于沸水（20g/100ml），水溶液pH约6-7。不溶于乙醇及其他有机溶剂。在空气中稳定,在水中缓缓溶解。 |
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机氧化合物 |
| 类（Class) | 有机氧化合物 |
| 亚类（Subclass） | 碳水化合物和碳水化合物结合物 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 糖酸及其衍生物 |
| 其他上位类（Alternative Parents） | 中链羟基酸及其衍生物 中链脂肪酸 β羟基酸及其衍生物 羟基脂肪酸 单糖 仲醇 1,2-二醇 羧酸盐 羧酸 有机钙盐 一元羧酸及其衍生物 伯醇 有机氧化物 碳氢化合物衍生物 有机两性离子 羰基化合物 |
| 分子骨架（Molecular Framework) | 暂无 |
| 取代基（Substituents） | Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Monosaccharide - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic calcium salt - Polyol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Aliphatic acyclic compound |
| 描述（Description） | 该化合物属于糖酸及其衍生物类有机化合物。这类化合物含有带羧酸基团的糖苷单元。 |
| 外部描述符（External Descriptors） | 暂无 |
| PubChem SID | 504764006 |
|---|---|
| IIUPAC Name | calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate |
| INCHI | 1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1 |
| InChi Key | XLNFVCRGJZBQGX-XRDLMGPZSA-L |
| Smiles | O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
| Isomeric SMILES | C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Ca+2] |
| 关联CAS | 18016-24-5 |
| 分子量 | 448.39 |
| Reaxy-Rn | 14447306 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14447306&ln= |
| 密度 | 1.3 |
|---|---|
| 熔点 | ca 195° dec. |
| 分子量 | 430.370 g/mol |
| XLogP3 | |
| 氢键供体数Hydrogen Bond Donor Count | 10 |
| 氢键受体数Hydrogen Bond Acceptor Count | 14 |
| 可旋转键计数Rotatable Bond Count | 8 |
| 精确质量Exact Mass | 430.064 Da |
| 单同位素质量Monoisotopic Mass | 430.064 Da |
| 拓扑极表面积Topological Polar Surface Area | 283.000 Ų |
| 重原子数Heavy Atom Count | 27 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 165.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 8 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 3 |
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