Basic information
- CAS
2312-88-1- Standard SMILES
Cc1c(C)c2c(c(C)c1OP(=O)(O)O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2- InChIKey
JUIUXBHZFNHITF-UHFFFAOYSA-N- Molecular formula
- C29H51O5P
- Average molar mass
- 510.7 g/mol
- Monoisotopic mass
- 510.34741172
Overview
RN given refers to (2R*(4R*,8R*))-(+-)-isomer
Names & identifiers
- Preferred name
- DL-alpha-Tocopheryl phosphate
- IUPAC
- [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] dihydrogen phosphate
- English name
- 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphate
- Molecular formula
- C29H51O5P
- Molecular weight
- 510.686001
Names & synonyms
alpha-Tocopherol phosphate, DL-J213.188IDL-alpha-Tocopheryl phosphateDTXSID50902489alpha-tocopherylphosphatealpha-tocopheryl phosphateRefChem:920545DTXCID001763900219-008-2254-231-938976-17-9alpha-Tocopherol phosphate
Show more names
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl dihydrogen phosphatePhosphoric acid dihydrogen 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl ester3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol dihydrogen phosphate
P7Q15MLX1X2312-88-13,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphateEINECS 219-008-2-Tocopherol phosphateSCHEMBL15960056DTXSID30945798JUIUXBHZFNHITF-UHFFFAOYSA-N
Database identifiers
- CAS
2312-88-1、38976-17-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 663
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 7 Q15MLX1X · P7Q15MLX1X
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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