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rel-α-Vitamin E | 2074-53-5

Product Name:rel-α-Vitamin E

CAS No:2074-53-5
MF:C29H50O2
MW:430.7061
MDL:MFCD00072051
CID:42425
Introduction
rel-α-Vitamin E (rel-D-α-Tocopherol) 是一种具有抗氧化特性的维生素,也是一种混合物。
Names and Identifiers
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
  • 5,7,8-trimethyltocol
  • antisterility vitamin
  • Aquasol E
  • Alpha-Tocopherol
  • covirel
  • D-alpha-tocopherol
  • ephynal
  • Eprolin
  • eprolin-s
  • epsilan
  • Esorb
  • etavit
  • E-vimin
  • Evion
  • E-vitamin succinate
  • Pheryl-E
  • phytogermine
  • profecundin
  • syntopherol
  • tokopharm
  • vascuals
  • Vitamin E
  • Vita plus E
  • viteolin
  • TOCOPHEROL
  • Natural vitamin E
  • d-.α.-Tocopherol
  • VITAMIN E INJECTION
  • (+-)-Med-e
  • A-TOCOPHEROL
  • DL-PHYTOGERMINE
  • DL-PROFECUNDIN
  • DL-TOCOPHEROL
  • DL-VITAMIN E
  • Ido-e
  • IRGANOX E 201
  • Nsc 82623
  • [2R*(4R*,8R*)]-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
  • VE
  • rel-α-Vitamin E
  • rac-alpha-Tocopherol1
  • MDL:MFCD00072051
  • InChIKey:GVJHHUAWPYXKBD-UHFFFAOYSA-N
  • Inchi:1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
  • SMILES:CC(CCCC(CCCC(CCCC1(CCC2=C(C(=C(C(C)=C2O1)C)O)C)C)C)C)C
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 430.38100
  • 氢键供体数量: 1
  • 氢键受体数量: 2
  • 可旋转化学键数量: 12
  • 重原子数量: 31
  • 复杂度: 503
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 3
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 10.7
  • 互变异构体数量: 9
  • 表面电荷: 0

Experimental Properties

  • LogP: 8.84020
  • PSA: 29.46000
  • 密度: 0.93
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