1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)

Catalog Number	ACM67254288-2
CAS	67254-28-8
Structure
Synonyms	DOPG
IUPAC Name	Sodium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2,3-dihydroxypropyl phosphate
Molecular Weight	797
Molecular Formula	C42H78NaO10P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[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;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);/q;+1/p-1/b19-17-,20-18-;/t39,40-;/m1./s1
InChI Key	IUVFCFQZFCOKRC-IPKKNMRRSA-M
Purity	98%+
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	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
Monoisotopic Mass	796.52302996
Physical State	Solid
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 are some Depositor-Supplied Synonyms of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

Some synonyms include DOPG Na, l-, T40U11PG20, and 1,2-Dioleoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt.

What is the IUPAC Name of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The IUPAC Name is sodium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2,3-dihydroxypropyl phosphate.

What is the Molecular Formula of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The Molecular Formula is C42H78NaO10P.

What is the Monoisotopic Mass of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The Monoisotopic Mass is 796.52302996 g/mol.

How many Heavy Atoms are present in 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

There are 54 Heavy Atoms present.

What is the CAS number of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The CAS number is 67254-28-8.

How many Rotatable Bonds are present in 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

There are 42 Rotatable Bonds present.

What is the Canonical SMILES representation of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

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

What is the Computed Properties Formal Charge of 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)?

The Computed Properties Formal Charge is 0.

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