Vaccine Lab / Alfa Chemistry
9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt

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9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt

Catalog Number ACM474943265
CAS 474943-26-5
Synonyms 18:0-18:2 PG
IUPAC Name Sodium;2,3-dihydroxypropyl [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] phosphate
Molecular Weight 797
Molecular Formula C42H78NaO10P
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
InChI InChI=1S/C42H79O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h12,14,18,20,39-40,43-44H,3-11,13,15-17,19,21-38H2,1-2H3,(H,47,48);/q;+1/p-1/b14-12-,20-18-;/t39,40-;/m1./s1
InChI Key KWVREKCBBPBIRH-UOGOKQQCSA-M
Purity 99%+
Complexity 948
Covalently-Bonded Unit Count 2
Defined Atom Stereocenter Count 1
Exact Mass 796.52302996
Heavy Atom Count 54
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 2
Isomeric SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass 796.52302996
Physical State Liquid
Rotatable Bond Count 42
Storage Conditions -20 °C
Topological Polar Surface Area 152 Ų
Knowledge & Learning Case Study Q&A

The Composition and Role of Phosphatidylglycerol in Liposome Technology

Phosphatidylglycerol (PG) is a type of phospholipid that plays a crucial role in cell membrane structure and function. It consists of two fatty acid chains linked to a glycerol backbone, with a phosphate group and a small polar head group attached to one end. PG is a significant component of bacterial membranes, particularly in cytoplasmic membranes and chloroplast thylakoid membranes. Structurally, PG contributes to the fluidity and stability of cell membranes, influencing various cellular processes. Get more information on:

  • What Is Phosphatidylglycerol?
  • Phosphatidylglycerol Liposomes
  • Selected Phosphatidylglycerol Series from Alfa Chemistry
  • Applications of Phosphatidylglycerol Liposomes

What is the InChIKey of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The InChIKey of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is KWVREKCBBPBIRH-UOGOKQQCSA-M.

What is the molecular weight of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The molecular weight of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is 797.0g/mol.

How many heavy atoms are present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

There are 54 heavy atoms present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt.

What is the Canonical SMILES of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The Canonical SMILES of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+].

What is the Monoisotopic Mass of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The Monoisotopic Mass of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is 796.52302996.

How many rotatable bonds are present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

There are 42 rotatable bonds present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt.

What is the CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

The CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt is 474943-26-5.

How many hydrogen bond acceptors are present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt?

There are 10 hydrogen bond acceptors present in 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, sodium salt.

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