(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-[(5-cyclohexylpentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase编号: 4224
• 分子式: C23H42O11
• 平均质量: 494.57298
• 单一同位素质量: 494.27271216
• SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
• Canonical SMILES: OC[C@H]1O[C@@H](OCCCCCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
• InChI: InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
• InChIKey: RVTGFZGNOSKUDA-ZNGNCRBCSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-[(5-cyclohexylpentyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: cymal-5
• 别名: CYMAL®-5; 5-Cyclohexylpentyl β-D-maltoside; CYMAL-5; 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE; 5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE; Cyclohexyl-pentyl-maltoside

登记号

• CAS号: 250692-65-0
• MDL号: MFCD09750882
• PubChem SID: 46507595; 160967656
• PubChem CID: 5327073

理论计算性质

JChem

• LogD (pH = 5.5): -0.24564432
• LogD (pH = 7.4): -0.24565667
• Log P: -0.24564417
• 摩尔折射率: 117.3139 cm^3
• 极化性: 48.25462 Å^3
• 极化表面积: 178.53 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false
• Acid pKa: 11.939976
• 质子受体: 11
• 质子供体: 7

ALOGPS 2.1

• Log P: 0.28
• LOG S: -2.0
• 溶解度: 4.92e+00 g/l

分子性质

理化性质

• 比旋光度: [α]20/D +51±4°, c = 0.5% in methanol
• 临界胶束浓度: 2.4-5 mM(20-25°C)
• 胶束聚集数: 66

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (TLC)
• 简要说明: non-ionic
• Mol. Weight: micellar average mol wt 32,600
• Empirical Formula (Hill Notation): C23H42O11

详细说明

DrugBank - DB04664

Drug information: experimental

Sigma Aldrich - 96193

Application
Detergent for the purification and crystallization of membrane-bound proteins in native structure. It has a higher CMC (critical micelle concentration) and is more hydrophobic than the corresponding linear chain analog (C23).1
Legal Information
No license is conveyed with the purchase of this product.
法律信息
CYMAL is a registered trademark of Affymetrix, Inc.