[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate

• ChemBase编号: 131352
• 分子式: C15H29NO7
• 平均质量: 335.39326
• 单一同位素质量: 335.19440227
• SMILES: CCCCCCCNC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
• Canonical SMILES: CCCCCCCNC(=O)OC[C@H]1O[C@H](OC)[C@@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12+,13-,14+/m1/s1
• InChIKey: XPIVOYOQXKNYHA-RGDJUOJXSA-N

名称和登记号

名称

• IUPAC标准名: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate
• IUPAC传统名: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate
• 别名: 6-O-(N-Heptylcarbamoyl)-methyl-α-D-glucopyranoside; HECAMEG; Methyl 6-O-(N-heptylcarbamoyl)-α-D-glucopyranoside

登记号

• CAS号: 115457-83-5
• MDL号: MFCD00077425
• Beilstein号: 3560078
• PubChem SID: 24885153; 162225630
• PubChem CID: 2733955

理论计算性质

• LogD (pH = 7.4): 0.69944155
• Log P: 0.6994482
• 摩尔折射率: 81.0761 cm^3
• 极化性: 32.92647 Å^3
• 极化表面积: 117.48 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true
• Acid pKa: 12.212818
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 0.69944817

分子性质

理化性质

• 溶解度: H2O: soluble10 mg/mL, clear, colorless
• 比旋光度: [α]20/D +101°
• 临界胶束浓度: 19.5

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
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥90% (TLC); ≥97.0% (TLC)
• 简要说明: non-ionic
• 痕量阳离子: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cr: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Mg: ≤50 mg/kg; Mn: ≤50 mg/kg; Na: ≤1000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Empirical Formula (Hill Notation): C15H29NO7

详细说明

Sigma Aldrich - 67328

Other Notes
Very mild surfactant, useful for membrane protein studies1

Sigma Aldrich - M3420

Application
Non-ionic detergent with superior properties: dissociates protein aggregates but does not denature enzymes or antigens; high CMC (19.5 mM) allow fast removal by dialysis.