1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform

Catalog Number	ACM474943301
CAS	474943-30-1
Synonyms	18:0-22:6 PA
IUPAC Name	Sodium;[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-octadecanoyloxypropyl] hydrogen phosphate
Molecular Weight	771
Molecular Formula	C43H72NaO8P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC.[Na+]
InChI	InChI=1S/C43H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2;/h5,7,11,13,17,19,21-22,26,28,32,34,41H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H2,46,47,48);/q;+1/p-1/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-;/t41-;/m1./s1
InChI Key	XMCFQIVGOJWNBA-VOYBGDFJSA-M
Purity	99%+
Complexity	1080
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	770.48625053
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=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	770.48625053
Physical State	Liquid
Rotatable Bond Count	38
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 Canonical SMILES for 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

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

What is the IUPAC Name of 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

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

What is the Molecular Formula of 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

The Molecular Formula is C43H72NaO8P.

What is the Molecular Weight of 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

The Molecular Weight is 771.0g/mol.

How many Heavy Atoms are present in 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

There are 53 Heavy Atoms present.

How many Rotatable Bonds are present in 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

There are 38 Rotatable Bonds present.

What is the CAS number for 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

The CAS number is 474943-30-1.

How many Hydrogen Bond Acceptors are present in 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

There are 8 Hydrogen Bond Acceptors present.

What is the Exact Mass of 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt)?

The Exact Mass is 770.48625053.

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1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphate (sodium salt), chloroform (474943-30-1)

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