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Tocofersolan
CAS: 9002-96-4 | C35H58O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
9002-96-4
Molecular Formula:
C35H58O6
Molecular Mass:
574.84 g/mol
Names and Synonyms:
Tocofersolan
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-
Poly(oxy-1,2-ethanediyl), α-[4-[[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl]oxy]-1,4-dioxobutyl]-ω-hydroxy-, [2R-[2R*(4R*,8R*)]]-
Mono[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] succinate, polyoxyethylene ether
Tocofersolan
D-α-Tocopherol polyethylene glycol 1000 succinate
TPGS
D 1T
α-Tocopherol polyethylene glycol succinate
d-α-Tocopheryl poly(ethylene glycol) 1000 succinate
Tocophersolan
α-Tocopheryl polyethylene glycol succinate
D-α-Tocopheryl polyethylene glycol succinate
d-α-Tocopheryl polyethylene glycol succinate
Vitamin E-TPGS
Eastman Vitamin ETPGS
VE-TPGS 1000
VitE-TPGS
Speziol TPGS Pharma
Kolliphor TPGS
D-α-Tocopherol acid polyethylene glycol 1000 succinate
TPGS 1000
TPGS 400-1000
TPGS 1500
Polyethylene glycol vitamin E succinate
Ethoxylated vitamin E succinate
d-α-Tocopheryl polyethylene glycol succinate
Vedrop
Identifiers:
SMILES:
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
InChI:
InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 574.84 g/mol | CAS Common Chemistry |
| 574.8430000000004 g/mol | RDKit | |
| 574.423339576 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tocofersolan | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C)CCC(=O)OCCO | CAS Common Chemistry |
| InChI | InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AOBORMOPSGHCAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | α-Tocopheryl polyethylene glycol succinate | CAS Common Chemistry |
| Tocofersolan | CAS Common Chemistry | |
| Heavy Atom Count | 41 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.06000000000002 Ų | RDKit |
| LogP | 8.355760000000007 | RDKit |
| Molar Refractivity | 165.6397999999996 | RDKit |
