1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt)

Catalog Number	ACM326495221
CAS	326495-22-1
Synonyms	1-Hexadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt); PG(16:0/0:0)
IUPAC Name	sodium;2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate
Molecular Weight	506.54
Molecular Formula	C22H44O9PNa
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O.[Na+]
InChI	InChI=1S/C22H45O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23;/h20-21,23-25H,2-19H2,1H3,(H,27,28);/q;+1/p-1/t20?,21-;/m1./s1
InChI Key	FJEBZINYFPJJAW-IYZPEQFLSA-M
Purity	>99%
Appearance	Powder
Complexity	497
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	506.26206426
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)O.[Na+]
Light Sensitive	No
Monoisotopic Mass	506.26206426
Physical State	Powder
Rotatable Bond Count	24
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	146 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-palMitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) (sodiuM salt)?

The molecular formula is C22H44NaO9P.

What is the computed properties complexity of the compound?

The computed properties complexity is 497.

How many hydrogen bond acceptors are there in the compound?

There are 9 hydrogen bond acceptors.

What is the formal charge of 1-palMitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) (sodiuM salt)?

The formal charge is 0.

Is there any defined atom stereocenter count in the compound?

Yes, there is 1 defined atom stereocenter count.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O.[Na+].

What is the exact mass of 1-palMitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) (sodiuM salt)?

The exact mass is 506.26206426.

What is the IUPAC name of the compound?

The IUPAC name is sodium; 2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate.

How many covalently-bonded units are there in the compound?

There are 2 covalently-bonded units.

What is the isomeric SMILES representation of the compound?

The isomeric SMILES representation is CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)O.[Na+].

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1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt) (326495-22-1)

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