16:0-22:6 PA, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform

Catalog Number	ACM474943287
CAS	474943-28-7
Synonyms	16:0-22:6 PA
IUPAC Name	Sodium;[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] hydrogen phosphate
Molecular Weight	742.9
Molecular Formula	C41H68NaO8P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC.[Na+]
InChI	InChI=1S/C41H69O8P.Na/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2;/h5,7,11,13,17-18,20-21,24,26,30,32,39H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H2,44,45,46);/q;+1/p-1/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-;/t39-;/m1./s1
InChI Key	JVHJPADGSWMGQX-KQTQLPLBSA-M
Purity	99%+
Complexity	1050
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	742.4549504
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.[Na+]
Monoisotopic Mass	742.4549504
Physical State	Liquid
Rotatable Bond Count	36
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų

Knowledge & Learning Case Study Q&A

Deciphering Phosphatidic Acid: From Cellular Membranes to Vaccine Efficacy

Phosphatidic acid (PA) is a crucial phospholipid in cellular membranes, playing a vital role in various cellular processes such as membrane biogenesis, signal transduction, and lipid metabolism. Structurally, PA consists of a glycerol backbone linked to two fatty acids at the sn-1 and sn-2 positions, and a phosphate group at the sn-3 position. Get more information on:

• Understanding Phosphatidic Acid
• Types of Phosphatidic Acid Molecules
• Quick Selection List for Phosphatidic Acid
• Action Mechanism of Phosphatidic Acid
• Application of Phosphatidic Acid in Vaccines

What is the exact mass of 16:0-22:6 PA, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform?

The exact mass is 742.45495040.

What is the molecular weight of 16:0-22:6 PA, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform?

The molecular weight is 742.9g/mol.

How many heavy atoms are present in the molecular formula of 16:0-22:6 PA, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform?

There are 51 heavy atoms.

What is the IUPAC name of 16:0-22:6 PA, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform?

The IUPAC name is sodium;[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] hydrogen phosphate.

How many rotatable bonds are present in 16:0-22:6 PA?

There are 36 rotatable bonds.

What is the topological polar surface area of 16:0-22:6 PA?

The topological polar surface area is 122.

Can you provide the CAS number for 16:0-22:6 PA?

The CAS number is 474943-28-7.

What is the canonical SMILES representation of the structure of 16:0-22:6 PA?

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

How many covalently-bonded unit counts are there in the computed properties of 16:0-22:6 PA?

There are 2 covalently-bonded unit counts.

How many hydrogen bond acceptors are present in 16:0-22:6 PA?

There are 8 hydrogen bond acceptor counts.

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16:0-22:6 PA, 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform (474943-28-7)

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