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Home > Encyclopedia > 9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester

9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester

9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester structure

9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester 

structure
  • CAS No:

    96687-22-8

  • Formula:

    C43H82NO8P

  • Chemical Name:

    9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester

  • Synonyms:

    9-Octadecenoic acid (9Z)-,1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester;9-Octadecenoic acid (Z)-,1-(3-hydroxy-7-methyl-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester,P-oxide,(R)-;9-Octadecenoic acid (Z)-,1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester,(R)-;9-Octadecenoic acid (9Z)-,1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester,(R)-;1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl

Description

Solid


1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine is a 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It has a role as a human metabolite. It derives from an oleic acid. It is a tautomer of a 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion.

9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester Basic Attributes

772.08700

772.09

Characteristics

121.41000

12.21160

0.996±0.06 g/cm3(20 °C , 760mmHg)

761.9±70.0 °C (760 mmHg)

9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester Use and Manufacturing

Lipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]

Computed Properties

Molecular Weight:772.1
XLogP3:11.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:42
Exact Mass:771.57780557
Monoisotopic Mass:771.57780557
Topological Polar Surface Area:112
Heavy Atom Count:53
Complexity:941
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9-Octadecenoic acid (9Z)-, 1,1′-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester

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