4-sulfocalix(4)arene sodium salt
基本情報
- CAS
151657-13-5- 標準SMILES
O=S(=O)([O-])c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2.[Na+]- InChIKey
GZPNIEYNWYONCE-UHFFFAOYSA-M- 分子式
- C28H23NaO16S4
- 平均分子量
- 766.7 g/mol
- 単同位体質量
- 765.97666362
名称と識別子
- 優先名称
- 4-sulfocalix(4)arene sodium salt
- IUPAC
- sodium 25,26,27,28-tetrahydroxy-11,17,23-trisulfopentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-sulfonate
- 英語名
- 4-Sulfocalix[4]arene sodium salt
- 分子式
- C28H20Na4O16S4
- 分子量
- 832.67
名称と別名
4-Sulfocalix[4]arene sodium salt4-sulfocalix(4)arene sodium saltRefChem:526736634-899-1151657-13-512,32,52,72-Tetrahydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-15,35,55,75-tetrasulfonic acid xsodium saltSodium;25,26,27,28-tetrahydroxy-11,17,23-trisulfopentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-sulfonateCID 23693104SCHEMBL29664952DTXSID906356634-Sulfocalix[4]arene xsodium saltDB-043108
名称をさらに表示
4-Sulfocalix[4]arene sodium4-SULFOCALIX[4]ARENE SODIUM SALT 95+%4-Sulfocalix[4]arene sodium salt >=95.0% (HPLC)1(2),3(2),5(2),7(2)-Tetrahydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1(5),3(5),5(5),7(5)-tetrasulfonic acid, sodium saltCalix[4]arene-4-sulfonic acid sodium salt, 25,26,27,28-Tetrahydroxycalix[4]arene-5,11,17,23-tetrasulfonic acid sodium salt
F8782225,26,27,28-Tetrahydroxycalix[4]arene-5,11,17,23-tetrasulfonic acid sodium saltSodium 1~2~,3~2~,5~2~,7~2~-tetrahydroxy-3~5~,5~5~,7~5~-trisulfo-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1~5~-sulfonateSodium 25,26,27,28-tetrahydroxy-11,17,23-trisulfopentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5-sulfonate
データベース識別子
- CAS
151657-13-5- PubChem CID
- 23693104
- DTXSID
DTXSID90635663- EC Number
- 634-899-1
物性
構造計算による物性
- 極性表面積
- 335 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 16
- 回転可能結合数
- 4
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,510
物理化学的性質
- 融点
- 300 °C · ≥300 °C(lit.)
- 外見
- crystals
- BRN
- 5221495 · 5221495
- InChIKey
- WCSKZSCSZGMBAN-UHFFFAOYSA-J
- SMILES
- S([O-])(=O)(=O)C1=CC2=C(O)C(CC3=CC(=CC(CC4=CC(S([O-])(=O)=O)=CC(=C4O)CC4C=C(S([O-])(=O)=O)C=C(C=4O)C2)=C3O)S([O-])(=O)=O)=C1.[Na+].[Na+].[Na+].[Na+]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- F
- 10-21
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用4-Sulfocalix[4]arene sodium salt is an amphiphilic calix[n]arene that can be used as a coupling agent for organic molecules and metal complexes because of its hydrophobic (aromatic ring) and hydrophilic (SO3-) environments.
一般的な説明4-Sulfocalix[4]arene is a cyclic oligomer, which is prepared by hydroxyalkylation of phenol and aldehyde. It belongs to the family of calixarenes with repeating phenolic units connected via methylene groups forming a macrocyclic molecule. It has an amphiphilic nature with different functional groups that make it useful in drug delivery systems. It shows potential applications in various fields such as analysis and separation, enzyme mimetic systems and self-assembly membranes.
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