1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)

Catalog Number	ACM322647596-1
CAS	322647-59-6
Structure
Synonyms	16:0-18:2 PA
IUPAC Name	Sodium;[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] hydrogen phosphate
Molecular Weight	694.9
Molecular Formula	C37H68NaO8P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C37H69O8P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,35H,3-10,12,14-16,19-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/b13-11-,18-17-;/t35-;/m1./s1
InChI Key	IYNPOFCKGPJAFU-HQFKUYMNSA-M
Purity	99%+
Complexity	820
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	694.4549504
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	694.4549504
Physical State	Powder
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 IUPAC name of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

The IUPAC name is sodium;[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] hydrogen phosphate

What is the molecular formula of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

The molecular formula is C37H68NaO8P

What is the molecular weight of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

The molecular weight is 694.9g/mol

What is the canonical SMILES representation of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

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

What is the CAS number of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

The CAS number is 322647-59-6

How many heavy atoms are present in 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

There are 47 heavy atoms.

How many rotatable bonds are present in 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

There are 36 rotatable bonds.

What is the topological polar surface area of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

The topological polar surface area is 122.

What is the InChI key of 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt)?

The InChI key is IYNPOFCKGPJAFU-HQFKUYMNSA-M

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1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate (monosodium salt) (322647-59-6)

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