1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate
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![1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aa794138e1a8463d9aeed2b3711d2041.png "1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate")
1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate
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CAS No:
102731-57-7
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Formula:
C19H37O8P
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Chemical Name:
1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate
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Synonyms:
Octanoic acid,1,1′-[(1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl] ester;Octanoic acid,1-[(phosphonooxy)methyl]-1,2-ethanediyl ester,(R)-;Octanoic acid,(1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester;1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate;1,2-Dioctanoyl-sn-glycero-3-phosphatidic acid;[(2R)-2-Octanoyloxy-3-phosphonooxypropyl] octanoate
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CAS No:
Description
ChEBI: A 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Solid
1,2-dioctanoyl-sn-glycero-3-phosphate is a 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl. It is a 1,2-diacyl-sn-glycerol 3-phosphate and an octanoate ester. It is a conjugate acid of a 1,2-dioctanoyl-sn-glycero-3-phosphate(2-).
1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate Basic Attributes
424.471
424.47
DTXSID70145477
Characteristics
119
4.3
Solid
201.2 Ų [M-H]- [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate Use and Manufacturing
Lipids -> Glycerophospholipids [GP] -> Glycerophosphates [GP10] -> Diacylglycerophosphates [GP1001]
Computed Properties
Molecular Weight:424.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:20
Exact Mass:424.22260513
Monoisotopic Mass:424.22260513
Topological Polar Surface Area:119
Heavy Atom Count:28
Complexity:463
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1′-[(1R)-1-[(Phosphonooxy)methyl]-1,2-ethanediyl] dioctanoate
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