Heptadecanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, sodium salt

Catalog Number	ACM799268669
CAS	799268-66-9
Synonyms	17:0 LYSO PA
IUPAC Name	Disodium;[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] phosphate
Molecular Weight	468.5
Molecular Formula	C20H39Na2O7P
Canonical SMILES	CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O.[Na+].[Na+]
InChI	InChI=1S/C20H41O7P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25;/h19,21H,2-18H2,1H3,(H2,23,24,25);/q;2*+1/p-2/t19-;/m1./s1
InChI Key	LGXQWPKTTPPJES-JQDLGSOUSA-L
Purity	99%+
Complexity	400
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Exact Mass	468.22287914
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O.[Na+].[Na+]
Monoisotopic Mass	468.22287914
Physical State	Powder
Rotatable Bond Count	20
Storage Conditions	-20 °C
Topological Polar Surface Area	119 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 molecular formula of Heptadecanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, sodium salt?

The molecular formula is C20H39Na2O7P.

What is the exact mass of Heptadecanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, sodium salt?

The exact mass is 468.22287914 g/mol.

How many heavy atoms are present in the molecule?

There are 30 heavy atoms present.

How many hydrogen bond acceptors are there?

There are 7 hydrogen bond acceptors.

What is the topological polar surface area of the molecule?

The topological polar surface area is 119.

What is the InChIKey for Heptadecanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, sodium salt?

The InChIKey is LGXQWPKTTPPJES-JQDLGSOUSA-L.

How many rotatable bonds are present in the molecule?

There are 20 rotatable bonds.

What is the IUPAC name of the compound?

The IUPAC name is disodium;[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] phosphate.

What is the Canonical SMILES of Heptadecanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, sodium salt?

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

What is the Depositor-Supplied Synonym for CID 145710300?

The Depositor-Supplied Synonym is Heptadecanoic acid, (2R)-2-hydroxy-3-(phosphonooxy)propyl ester, sodium salt.

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