9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt

Catalog Number	ACM799268727
CAS	799268-72-7
Synonyms	18:1 Cyclic LPA
IUPAC Name	Azanium;[(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-2-ium-4-yl]methyl (Z)-octadec-9-enoate
Molecular Weight	436.5
Molecular Formula	C21H43NO6P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC1CO[P+](O1)(O)[O-].[NH4+]
InChI	InChI=1S/C21H39O6P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24);1H3/p+1/b10-9-;/t20-;/m1./s1
InChI Key	BQDHONSGIYYBPK-JGSYTFBMSA-O
Purity	99%+
Complexity	431
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	436.28280009
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CO[P+](O1)(O)[O-].[NH4+]
Monoisotopic Mass	436.28280009
Physical State	Powder
Rotatable Bond Count	18
Storage Conditions	-20 °C
Topological Polar Surface Area	89 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 chemical structure of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The chemical structure of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt.

What is the Canonical SMILES of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The Canonical SMILES of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is CCCCCCCCC=CCCCCCCCC(=O)OCC1CO[P+](O1)(O)[O-].[NH4+].

How many heavy atoms are present in 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

There are 29 heavy atoms present in 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt.

What is the computed formal charge of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The computed formal charge of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is 1.

How many rotatable bonds are present in 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

There are 18 rotatable bonds present in 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt.

What is the molecular formula of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The molecular formula of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is C21H43NO6P+.

What is the exact mass of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The exact mass of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is 436.28280009.

What is the IUPAC Name of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The IUPAC Name of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is azanium;[(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-2-ium-4-yl]methyl (Z)-octadec-9-enoate.

What is the InChIKey of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The InChIKey of 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is BQDHONSGIYYBPK-JGSYTFBMSA-O.

What is the depositor-supplied synonym for 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt?

The depositor-supplied synonym for 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt is 9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt.

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9-Octadecenoic acid (9Z)-, [(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]methyl ester, ammonium salt (799268-72-7)

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