Basic information
- CAS
1560716-42-8- Standard SMILES
CC(=O)Oc1c(C)c(C)c2c(c1C)[C@@H](C)[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
BZSRWKZBUYJTAA-RGUOYGGBSA-N- Molecular formula
- C31H52O3
- Average molar mass
- 472.7 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetate
- IUPAC
- [(2R,3R)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-yl] acetate
- English name
- 5-Benzofuranol, 2,3-dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-, 5-acetate, (2R,3R)-rel-
- Molecular formula
- C31H52O3
- Molecular weight
- 472.74
Names & synonyms
1560716-42-8(2R,3R)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetateVitamin E Impurity 82Vitamin E Impurity 87TD54YA3CHJSCHEMBL154679821560716-40-6All-Rac-Alpha-Tocopheryl Acetate EP Impurity Ball-rac-alpha-TOCOPHERYL ACETATE IMPURITY B [EP IMPURITY]All-rac-alfa-Tocopheryl Acetate EP Impurity B (and Diastereoisomers)5-Benzofuranol, 2,3-dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-, 5-acetate, (2R,3R)-rel-all-rac-cis-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetate,
Show more names
all-rac-cis-2,3,4,6,7-Pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl Acetate(2R,3R)-Rel-2,3-Dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-5-benzofuranol5-Acetate(2R,3R)-Rel-2,3-Dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-5-benzofuranol 5-Acetate Discontinuedb . a ll-ra c -c i s-2,3,4,6,7-pe nta me th yl-2-(4,8,12-tri me th yltri d e c yl)-2,3-d i h yd rob e nzof ura n-5-yl a c e ta te ,
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Boiling point
- 521.6 · 521.6±50.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers7 total
成都博辰创科生物医药科技有限公司13550099873 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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