1,2-Diarachidonoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt)

Catalog Number	ACM474943210
CAS	474943-21-0
Synonyms	20:4 PG
IUPAC Name	Sodium;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] 2,3-dihydroxypropyl phosphate
Molecular Weight	841
Molecular Formula	C46H74NaO10P
Canonical SMILES	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C46H75O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h11-14,17-20,23-26,29-32,43-44,47-48H,3-10,15-16,21-22,27-28,33-42H2,1-2H3,(H,51,52);/q;+1/p-1/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-;/t43,44-;/m1./s1
InChI Key	VDLWDRIXPIHWNE-JXXFPQNESA-M
Purity	99%+
Complexity	1270
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	840.49172983
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	840.49172983
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 weight of 1,2-Diarachidonoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] (Sodium Salt)?

The molecular weight is 841.0g/mol.

How many atoms are in the 1,2-Diarachidonoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] molecule?

There are 58 heavy atoms.

What is the Canonical SMILES representation of 1,2-Diarachidonoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] (Sodium Salt)?

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.[Na+]

How many Covalently-Bonded Units are in the molecule?

There are 2 covalently-bonded units.

What is the InChIKey of 1,2-Diarachidonoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] (Sodium Salt)?

The InChIKey is VDLWDRIXPIHWNE-LSIRRLDGSA-M.

How many defined bond stereocenters are present in the molecule?

There are 8 defined bond stereocenters.

What is the Isomeric SMILES representation of the molecule?

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC.[Na+]

How many rotatable bonds are there in 1,2-Diarachidonoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] (Sodium Salt)?

There are 40 rotatable bonds.

What is the IUPAC Name of the compound?

Sodium; 2,3-bis[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy]propyl 2,3-dihydroxypropyl phosphate.

How many hydrogen bond acceptors are in the molecule?

There are 10 hydrogen bond acceptors.

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1,2-Diarachidonoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt) (474943-21-0)

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