| CAS Number | 311313-37-8 |
| Catalog Number | AG00C3CK(AGN-PC-0R6GHV) |
| Chemical Name | Di(a-tocopherol) Phosphate (>85%) |
| IUPAC Name | [(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] hydrogen phosphate |
| InChI | InChI=1S/C58H99O6P/c1-39(2)23-17-25-41(5)27-19-29-43(7)31-21-35-57(15)37-33-51-49(13)53(45(9)47(11)55(51)61-57)63-65(59,60)64-54-46(10)48(12)56-52(50(54)14)34-38-58(16,62-56)36-22-32-44(8)30-20-28-42(6)26-18-24-40(3)4/h39-44H,17-38H2,1-16H3,(H,59,60)/t41-,42+,43-,44+,57-,58+ |
| InChI Key | XEGGCVLVTDELSB-DPVYBCKMSA-N |
| Molecular Formula | C58H99O6P |
| Molecular Weight | 923.3768 |
| SMILES | CC1=C(C)C(OP(OC2=C(C)C(CC[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)O3)=C3C(C)=C2C)(O)=O)=C(C)C4=C1O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC4 |
| Synonyms | Di(alpha-tocopherol) Phosphate,
311313-37-8,
J-018252,
|
| Complexity | 1290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 922.718g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 65 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 923.398g/mol |
| Monoisotopic Mass | 922.718g/mol |
| Rotatable Bond Count | 28 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 20.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number