Basic information
- CAS
17966-25-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
YFWHNAWEOZTIPI-UHFFFAOYSA-N- Molecular formula
- C39H77O8P
- Average molar mass
- 705 g/mol
- Monoisotopic mass
- 704.53560641
Overview
3-(Phosphonooxy)-1,2-propanediyl dioctadecanoate is a 1,2-diacyl-sn-glycerol 3-phosphate.
Names & identifiers
- Preferred name
- 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate
- IUPAC
- (2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate
- English name
- 1-[(phosphonooxy)methyl]ethane-1,2-diyl distearate
- Molecular formula
- C39H77O8P
- Molecular weight
- 705
Names & synonyms
17966-25-51-[(PHOSPHONOOXY)METHYL]ETHANE-1,2-DIYL DISTEARATE(2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate1-((Phosphonooxy)methyl)ethane-1,2-diyl distearateDistearoylphosphatidic acid3-(phosphonooxy)propane-1,2-diyl dioctadecanoateEINECS 241-890-2SCHEMBL7807531DTXSID50939250CHEBI:176709YFWHNAWEOZTIPI-UHFFFAOYSA-NPD047003
Show more names
Bisoctadecanoic acid 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester
NS00051793PA 18:0_18:03-(Phosphonooxy)-1,2-propanediyl dioctadecanoate
Database identifiers
- CAS
17966-25-5- PubChem CID
- 86641
- DTXSID
DTXSID50939250- ChEBI
CHEBI:176709- EC Number
- 241-890-2
- Nikkaji
- J260.809J
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 40
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Melting point
- 76.5 · 76.5-77.5 °C
- Boiling point
- 743.899 · 743.899±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.765 · 1.765±0.10(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: 3-(Phosphonooxy)-1,2-propanediyl dioctadecanoate is a 1,2-diacyl-sn-glycerol 3-phosphate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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