2,3-Dihexadecanoyloxypropoxy-(2-dimethylaminoethoxy)phosphinic acid
Basic information
- CAS
1487-55-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC- InChIKey
SKWDCOTXHWCSGS-UHFFFAOYSA-N- Molecular formula
- C39H78NO8P
- Average molar mass
- 720 g/mol
- Monoisotopic mass
- 719.54650544
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2,3-Dihexadecanoyloxypropoxy-(2-dimethylaminoethoxy)phosphinic acid
- IUPAC
- [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
- English name
- 1,2-Dihexadecanoyl-rac-glycero-3-phospho[dimethylaminoethanol]
- Molecular formula
- C39H78NO8P
- Molecular weight
- 720.01
Names & synonyms
1487-55-42,3-dihexadecanoyloxypropoxy-(2-dimethylaminoethoxy)phosphinic acid1,2-DIHEXADECANOYL-RAC-GLYCERO-3-PHOSPHO[DIMETHYLAMINOETHANOL](R)-1-(3-Hydroxy-7-methyl-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide1,2-Dipalmitoyl-rac-glycero-3-phospho-N,N-dimethylethanolamineSKWDCOTXHWCSGS-UHFFFAOYSA-Nalpha-Dimethyl dipalmitoylphosphatidylethanolamineEINECS 216-069-7EINECS 223-494-1orb2283010SCHEMBL2734331DTXSID20933462
Show more names
DL-ALPHA-PHOSPHATIDYL-N,N-DIMETHYLETHANOLAMINE, DIPALMITOYL(±)-1-(3-hydroxy-7-methyl-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide[1-[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] hexadecanoate[1-[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] hexadecanoatepalmitic acid [1-[[2-dimethylaminoethyloxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] esterHexadecanoic acid, 1,1'-[1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 40
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 797
Physicochemical properties
- Melting point
- 137.8 · 137.8-138.2 °C
- Boiling point
- 726.3 · 726.3±70.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 0.94 · 0.94±0.50(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…