1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)

Catalog Number	ACM322729384
CAS	322729-38-4
Synonyms	18:2 PG
IUPAC Name	Sodium;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] 2,3-dihydroxypropyl phosphate
Molecular Weight	793
Molecular Formula	C42H74NaO10P
Canonical SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C42H75O10P.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;/h11-14,17-20,39-40,43-44H,3-10,15-16,21-38H2,1-2H3,(H,47,48);/q;+1/p-1/b13-11-,14-12-,19-17-,20-18-;/t39,40-;/m1./s1
InChI Key	ZIOOVFPFWVCCEB-WDFQPZSRSA-M
Purity	99%+
Complexity	1030
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	792.49172983
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	792.49172983
Physical State	Liquid
Rotatable Bond Count	40
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 molecular formula of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The molecular formula is C42H74NaO10P.

What is the exact mass of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The exact mass is 792.49172983.

How many heavy atoms are present in the chemical structure of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

There are 54 heavy atoms.

What is the IUPAC name of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The IUPAC name is sodium;2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl 2,3-dihydroxypropyl phosphate.

How many rotatable bonds are present in the structure of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

There are 40 rotatable bonds.

What are the computed properties of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

Some of the computed properties include complexity, covalently-bonded unit count, hydrogen bond acceptor count, and hydrogen bond donor count.

What is the Canonical SMILES representation of the chemical structure?

The Canonical SMILES is CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+].

How many defined bond stereocenters are present in the structure?

There are 4 defined bond stereocenters.

What is the InChIKey of 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The InChIKey is ZIOOVFPFWVCCEB-AGIJYSFMSA-M.

What is the name of the chemical compound with CID 168006276?

The name of the compound is 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt).

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1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt) (322729-38-4)

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