1,2-Dipentadecylmethylidene phosphatidic acid
Basic information
- CAS
76749-50-3- Standard SMILES
CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)OCC(COP(=O)(O)O)O1- InChIKey
PJHZFMVFJHDRIA-UHFFFAOYSA-N- Molecular formula
- C34H69O6P
- Average molar mass
- 604.9 g/mol
- Monoisotopic mass
- 604.48317691
Names & identifiers
- Preferred name
- 1,2-Dipentadecylmethylidene phosphatidic acid
- IUPAC
- [2,2-di(pentadecyl)-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
- English name
- 1,2-dipentadecylmethylidene phosphatidic acid
- Molecular formula
- C34H69O6P
- Molecular weight
- 604.881821
Names & synonyms
1,2-Dipentadecylmethylidene phosphatidic acid1,2-Dpmpa76749-50-3RefChem:72019[2,2-di(pentadecyl)-1,3-dioxolan-4-yl]methyl dihydrogen phosphateDTXSID109980601,3-Dioxolane-4-methanol, 2,2-dipentadecyl-, (R)-(2,2-Dipentadecyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
Database identifiers
- CAS
76749-50-3- PubChem CID
- 196477
- DTXSID
DTXSID10998060
Properties
Computed structural properties
- XLogP
- 13.5
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 580
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Compound notes
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