Basic information
- CAS
120287-12-9- Standard SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCCOP(=O)(O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C- InChIKey
HSMGFXXXLIWRSQ-UHFFFAOYSA-N- Molecular formula
- C46H96O10P2
- Average molar mass
- 871.2 g/mol
- Monoisotopic mass
- 870.64787325
Overview
RN and structure given in first source
Names & identifiers
- Preferred name
- 2,3-Diphytanyl-sn-glycero-1-phospho-1'-propanediol 3'-phosphate
- IUPAC
- 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propyl 3-phosphonooxypropyl hydrogen phosphate
- English name
- 2,3-diphytanyl-sn-glycero-1-phospho-1'-propanediol 3'-phosphate
- Molecular formula
- C46H96O10P2
- Molecular weight
- 871.2
Names & synonyms
dPGP120287-12-92,3-Diphytanyl-sn-glycero-1-phospho-1'-propanediol 3'-phosphateRefChem:81893SCHEMBL30183456DTXSID209233035-Hydroxy-13,17,21,25-tetramethyl-5-oxo-8-[(3,7,11,15-tetramethylhexadecyl)oxy]-4,6,10-trioxa-5lambda~5~-phosphahexacosan-1-yl dihydrogen phosphatePhosphoric acid, mono(2,3-bis((3,7,11,15-tetramethylhexadecyl)oxy)propyl) mono(3-(phosphonooxy)propyl) ester, stereoisomerPhosphoric acid, mono[(2S)-2,3-bis[[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy]propyl] mono[3-(phosphonooxy)propyl] ester (9CI)
Database identifiers
- CAS
120287-12-9- PubChem CID
- 129100
- DTXSID
DTXSID20923303
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 42
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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