Vitamin E Related Compound 1

CAT: 1596-AR-V01551-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V01551-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

119-98-2

Synonyms

2-methyl-2- (4,8,12-trimethyltridecyl) chroman-6-ol; 2-Methyl-2- (4,8,12-Trimethyltridecyl) -6-Chromanol

Molecular Formula

C26H44O2

Molecular Weight

388.64

API Name

Vitamin

Chemical Information

Tocol

synthetic with antiproliferative and proapoptotic effects; structure in first source

CAS Number	119-98-2
PubChem CID	9865117
IUPAC Name	2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Molecular Formula	C26H44O2
Molecular Weight	388.6
XLogP	9.6
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	28
Formal Charge	0
Complexity	421

SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)O)C

InChI

InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3

InChIKey

DFUSDJMZWQVQSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-98-2

CID: 9865117

Formula: C26H44O2

MW: 388.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.6
XLogP3	9.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	388.334130642
Monoisotopic Mass	388.334130642
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	421
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-V01575-01	Rac-Vitamin E Related Compound 2
AR-V01607-01	Vitamin K1 Related Compound 1
AR-B01765-01	Bisoprolol Related Compound E
AR-I01415-01	Imiquimod Related Compound E
AR-C05359-01	Carvedilol Related Compound E
AR-Z01005-01	Zafirlukast Related Compound E
AR-B01103-01	Benazepril Related Compound E
AR-V16880-01	Valsartan Related Compound E
AR-E01632-01	Eprosartan related compound E
AR-B06184-01	Benazepril Related Compound E

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