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Home> Encyclopedia > Hot Product Listed 2   > 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-
1310405-29-8 structure

2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-

Iupac Name:[2-(2-phenylphenyl)phenyl]boronic acid
CAS No.:1310405-29-8
EINECS(EC#): 609-162-2
Molecular Weight:274.126
Molecular Formula:C43H58O14 (isomer)
Names and Identifiers
Synonyms

2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, [2R*(4R*,8R*)]- 5,8-Dimethyltocol 6-Chromanol, 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)- (8CI) b-Tocopherol Cumotocopherol dl-b-Tocopherol Neotocopherol p-Xylotocopherol

Inchi
InChI=1S/C18H15BO2/c20-19(21)18-13-7-6-12-17(18)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-13,20-21H
InChkey
JOAXPHWDIJKPAT-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC=CC=C1C2=CC=CC=C2C3=CC=CC=C3)(O)O
Properties
Density
1.278
Flash Point
81.1ºC
Computational chemical data
  • Molecular Weight:274.126g/mol
  • Molecular Formula:C43H58O14
  • Compound Is Canonicalized:True
  • Exact Mass:274.117
  • Monoisotopic Mass:274.117
  • Complexity:314
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccJ4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAoGAAACAAADACAGAAwAIAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:010-56205725;010-86181995
  • Fax:010-65763397
  • Tel:(215) 785 3197
  • Fax:(215) 785 2656
  • Tel:0086 (0) - 315 - 231 - 9949
  • Fax:0086 (0) - 315 - 231 - 6649
 
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