(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl pyridine-3-carboxylate

• ChemBase编号: 132780
• 分子式: C35H53NO3
• 平均质量: 535.80022
• 单一同位素质量: 535.40254456
• SMILES: Cc1c(c(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)c1cccnc1)C
• Canonical SMILES: C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)c1cccnc1)C)CCC[C@@H](CCCC(C)C)C
• InChI: InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1
• InChIKey: MSCCTZZBYHQMQJ-AZAGJHQNSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl pyridine-3-carboxylate
• IUPAC传统名: tocopheryl nicotinate
• 别名: Vitamin E nicotinate; (±)-α-Tocopherol nicotinate

登记号

• CAS号: 51898-34-1
• EC号: 257-501-4
• MDL号: MFCD03548047
• PubChem SID: 162227057; 24900260
• PubChem CID: 27990

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 11.253049
• LogD (pH = 7.4): 11.25502
• Log P: 11.255046
• 摩尔折射率: 163.0392 cm^3
• 极化性: 63.6106 Å^3
• 极化表面积: 48.42 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

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: 2-8°C

详细说明

Sigma Aldrich - T5134

包装
5, 25, 100 g in glass bottle
Biochem/physiol Actions
Tocopherols (TCP) (vitamin E) are a series (α, β, γ and δ) of chiral organic molecules that vary in their degree of methylation of the phenol moiety of the chromanol ring. Tocopherols are lipid soluble anti-oxidants that protect cell membranes from oxidative damage. α-Tocopherol is the form of tocopherol preferentially absorbed by homo sapiens. α-Tocopherol nicotinate is used along the α-Tocopherol acetate, α-Tocopherol succinate and other esterified forms as a vitamin E supplement with similar but differential activities.