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Vitamin E Impurity 86

CAT: 1299-RM-T031886-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T031886-02Size:25 mg
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CAS Number
17407-37-3
Synonyms
4-oxo-4- ((2,5,7,8-tetramethyl-2- (4,8,12-trimethyltridecyl) chroman-6-yl) oxy) butanoate
Molecular Formula
C33H54O5
Molecular Weight
530.79
Target Alternative Name
Vitamin
Product Name Synonym
4-oxo-4- ((2,5,7,8-tetramethyl-2- (4,8,12-trimethyltridecyl) chroman-6-yl) oxy) butanoate

Chemical Information

d-alpha-Tocopheryl acid succinate

D-alpha-tocopheryl acid succinate is a white powder. (NTP, 1992)

CAS Number17407-37-3
PubChem CID425400
IUPAC Name4-oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]butanoic acid
Molecular FormulaC33H54O5
Molecular Weight530.8
XLogP10.2
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity720
SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)O)C
InChI
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)
InChIKey
IELOKBJPULMYRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of d-alpha-Tocopheryl acid succinate
CAS: 17407-37-3
CID: 425400
Formula: C33H54O5
MW: 530.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.8
XLogP310.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass530.39712482
Monoisotopic Mass530.39712482
Topological Polar Surface Area72.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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