2-Hydroxyethyl 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl butanedioate

HCID 71406
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Basic information

CAS
30999-06-5
Standard SMILES
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChIKey
AOBORMOPSGHCAX-UHFFFAOYSA-N
Molecular formula
C35H58O6
Average molar mass
574.8 g/mol
Monoisotopic mass
574.42333957

Names & identifiers

Preferred name
2-Hydroxyethyl 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl butanedioate
IUPAC
1-O-(2-hydroxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate
English name
Vitamin E
Molecular formula
C29H50O2
Molecular weight
430.71

Names & synonyms

DTXSID508600352-Hydroxyethyl 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl butanedioateRefChem:1063424DTXCID30210296Tocophersolan [USAN]30999-06-5Vitamin E TPGSTocofersolan (INN)Tocophersolan (USAN)1-O-(2-hydroxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioateTocofersolan [INN]Tocofersolano
Show more names
O4-(2-hydroxyethyl) O1-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioatesuccinic acid O4-(2-hydroxyethyl) ester O1-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] ester4-O-(2-hydroxyethyl) 1-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioatePoly(oxy-1,2-ethanediyl), α-[4-[[(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl]oxy]-1,4-dioxobutyl]-ω-hydroxy-Poly(oxy-?1,?2-?ethanediyl)?, α-?[4-?[[(2R)?-?3,?4-?dihydro-?2,?5,?7,?8-?tetramethyl-?2-?[(4R,?8R)?-?4,?8,?12-?trimethyltridecyl]?-?2H-?1-?benzopyran-?6-?yl]?oxy]?-?1,?4-?dioxobutyl]?-?ω-?hydroxy-
Tocofersolan, INNTocophersolan, USANorb2815193SCHEMBL3139787Aquasol E Tpgs Liquid 77iu/MlCHEBI:176233HMS5084P20AKOS015967005

Database identifiers

CAS
30999-06-5
PubChem CID
71406
ChEBI
CHEBI:176233

Properties

Computed structural properties

XLogP
9.9
Topological polar surface area
82.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
20
Heavy atoms
41

Physicochemical properties

Cosmetics Ingredients Functions
ANTIOXIDANT

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular；Membrane

Uses & manufacturing

Use ClassificationCosmetics -> Antioxidant

Suppliers9 total

合肥翰刚医药科技有限公司+8618062405514 · [email protected]
陕西晨明生物科技有限公司15529026321
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
山东萍聚生物科技有限公司18613662662; 18613662662
河北贞佳新材料有限公司0319-5925599 13315915972

Additional notes

DefinitionChEBI: Tocophersolan is a tocol.

Related reactions

4 records
New reaction record

Compound notes

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