55134-51-5 (4-Oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltri decyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid,alpha-Tocopherol succinate)

CAS号:
55134-51-5
中文名称:
4-Oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltri decyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid
英文名称:
alpha-Tocopherol succinate
分子式:
C33H54O5
分子量:
530.778871059418

4-Oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltri decyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid(55134-51-5)名称与标识符

名称

中文别名:
4-Oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltri decyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid;
英文别名:
alpha-Tocopheryl hydrogen succinate;TOCOPHERYL ACID SUCCINATE,D-ALPHA [VANDF];4-Oxo-4-(((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)oxy)butanoic acid;DB14001;D- alpha -Tocopheryl Succinate;D-alpha-Tocopherol succinate, analytical standard;VITAMIN E (ALPHA-TOCOPHERYL SUCCINATE);Succinic acid, mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) ester, (+)-;Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] ester, [2R-[2R*(4R*,8R*)]]-;.alpha.-tocopheryl succinate, d-;Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl] ester;A-Tocopherol succinate;RRR-alpha-Tocopheryl Hydrogen Succinate;D-alpha-Tocopherol succinate, semisynthetic, 1210 IU/g;Tox21_112556;17407-37-3;RRR-ALPHA-TOCOPHERYL HYDROGEN SUCCINATE (EP IMPURITY);Butanedioic acid, 1-((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester;(+)-alpha-Tocopheryl succinate;55134-51-5;alpha-Tocopheryl succinate, D-;EINECS 241-433-7;Q27283185;d-alpha-Tocopherol acid succinate;T2628;2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl hydrogen succinate, (+)-;Covitol 1210;NS00045903;CCG-207945;4-oxo-4-(((2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl)oxy)butanoic acid;CCRIS 4734;NCGC00258122-01;d-a-tocopherol succinate;alpha-Tocopherol acid succinate, D-;Alpha-tocopherol succinate, d-;DTXCID706151;AC-1132;(+)-.alpha.-Tocopherol acid succinate;alpha tocopheryl acid succinate;RRR-.ALPHA.-TOCOPHERYL HYDROGEN SUCCINATE;CS-0136520;Tocopheryl Acid Succinate, a, Pharmaceutical Secondary Standard; Certified Reference Material;NSC173849;alpha-Vitamin E succinate;Butanedioic acid, mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester;D-?-Tocopherol succinate;AS-75106;RRR-alpha-Tocopheryl hydrogen succinate; (2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl hydrogen succinate; d-alpha-tocopherol succinate; Vitamin E succinate; (+)-alpha-tocopheryl acid succinate; D-alpha-Tocopheryl hydrogen succinate;D-.alpha.-Tocopheryl succinate;TOCOPHERYL ACID SUCCINATE [WHO-DD];D-alpha-Tocopherol succinate;Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester;(+)-alpha-Tocopherol acid succinate;4-Oxo-4-(((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)oxy)butanoicacid;CHEBI:135821;3-{[(2R)-2-((4R,8R)-4,8,12-trimethyltridecyl)-2,5,7,8-tetramethylchroman-6-yl] oxycarbonyl}propanoic acid;White-e [veterinary] (TN);EINECS 224-403-8;TOCOPHERYL ACID SUCCINATE,D-ALPHA;UNII-LU4B53JYVE;AKOS015902063;HY-131553;Dal-Vita brand of vitamin E succinate;EN300-23011947;.alpha.-tocopheryl succinate;Tocopherol acid succinate, alpha-;a-Tocopheryl Succinate;4-oxo-4-((R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yloxy)butanoic acid;alpha-Tocopherol hemisuccinate;6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, hydrogen succinate, (+)-;RRR-ALPHA-TOCOPHERYL ACID SUCCINATE;TOCOPHERYL SUCCINATE [INCI];RRR-alpha-Tocopheryl hydrogen succinate, European Pharmacopoeia (EP) Reference Standard;vitamin e succinate;Butanedioic acid,mono[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester;4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid;J24.824J;RRR-ALPHA-TOCOPHERYL ACID SUCCINATE [FCC];NCGC00167561-01;Butanedioic acid, mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester, (2R-(2R*(4R*,8R*)))-;RRR-.ALPHA.-TOCOPHERYL HYDROGEN SUCCINATE [EP IMPURITY];NCGC00167561-03;Butanedioic acid, 1-[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl] ester;C033716;D-alpha-Tocopherol succinate, BioXtra, >=98.0% (HPLC);4345-03-3;Vitamin-E Dragees;alpha-Tocopheryl succinate;.ALPHA.-TOCOPHEROL SUCCINATE, D-;White-e (veterinary);mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate;D-.alpha.-Tocopherol succinate;SCHEMBL134422;MFCD00072055;D-ALPHA-TOCOPHERYL SUCCINATE;Wiedemann brand of vitamin E succinate;CV 104;LU4B53JYVE;Tocopheryl Acid Succinate, d-Alpha;4-oxo-4-{[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}butanoic acid;Vitamine E succinate;alpha-Tocopheryl acid succinate;.alpha.-Tocopherol succinate;Tox21_200568;SR-01000883728;Alpha tocopheryl acid succinate, United States Pharmacopeia (USP) Reference Standard;Butanedioic acid, mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) ester;NSC-173849;4-oxo-4-[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl]oxy-butanoic acid;NCGC00167561-02;SR-01000883728-1;alpha-Tocopherol, succinate, D-;Mono(3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate, (2R-(2R*(4R*,8R*)))-;alpha-Tocopherol, succinate;D-ALPHA TOCOFERIL ACID SUCCINATE (MART.);D-;D-alpha-tocopheryl-succinate;D-ALPHA TOCOFERIL ACID SUCCINATE [MART.];D08612;alpha-tocopherol succinate;TOCOPHERYL ACID SUCCINATE [VANDF];BRD-K64636206-001-02-7;DTXSID2026151;Mono(2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl) succinate, (+)-;BDBM50458511;CAS-4345-03-3;Dal-E;C90299;tocopherol succinate;D-alpha-Tocopheryl hydrogen succinate;Tocopheryl succinate;Z2216889767;.ALPHA.-TOCOPHEROL SUCCINATE [MI];Vitamin E hemisuccinate;CHEMBL81421;(3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) hydrogen succinate;SBI-0636756.0001;D-alpha tocopheryl acid succinate;NSC 173849;

标识符

InChIKey:
IELOKBJPULMYRW-NJQVLOCASA-N
Inchi:
1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1
SMILES:
O1C2C(C)=C(C)C(=C(C)C=2CC[C@@]1(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(CCC(=O)O)=O

4-Oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltri decyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid(55134-51-5)物化性质

计算特性

  • 精确分子量 : 530.39712482Da
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 17
  • 同位素质量 : 530.39712482Da
  • 重原子数量 : 38
  • 复杂度 : 720
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 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) : 10.2
  • 拓扑分子极性表面积 : 72.8Ų

4-Oxo-4-({(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltri decyl]-3,4-dihydro-2H-chromen-6-yl}oxy)butanoic acid(55134-51-5)相关文献