2-Docosahexaenoin-1-oleoyl 3-phosphocholine

CAS

99296-82-9

Catalog Number

ACM99296829

Category

Other Products

Molecular Weight

832.14

Molecular Formula

C₄₈H₈₂NO₈P

MSDS COA Spec Sheet

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Specification

Synonyms

[R-(all-Z)]-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[[[(9Z)-1-oxo-9-
octadecen-1-yl]oxy]methyl]-3,5,8-trioxa-4-phosphatriaconta-12,15,18,21,24,27-hexaen-1-aminium Inner Salt 4-Oxide;

IUPAC Name

[(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC

InChI Key

FPEVDFOXMCHLKL-BFVLUCRJSA-N

Exact Mass

831.57800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The molecular formula of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is C48H82NO8P.

What is the molecular weight of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The molecular weight of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is 832.1 g/mol.

What are some synonyms for 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

Some synonyms for 2-Docosahexaenoin-1-oleoyl 3-phosphocholine are PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), GPCho(18:1n9/22:6n3), and Phosphatidylcholine(18:1n9/22:6n3).

When was 2-Docosahexaenoin-1-oleoyl 3-phosphocholine created and last modified?

2-Docosahexaenoin-1-oleoyl 3-phosphocholine was created on May 14, 2008, and last modified on December 30, 2023.

What is the IUPAC name of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The IUPAC name of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the Canonical SMILES of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The Canonical SMILES of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC.

How many hydrogen bond acceptors does 2-Docosahexaenoin-1-oleoyl 3-phosphocholine have?

2-Docosahexaenoin-1-oleoyl 3-phosphocholine has 8 hydrogen bond acceptors.

What is the XLogP3-AA value of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The XLogP3-AA value of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is 12.7.

What is the Lipid Maps ID for 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The Lipid Maps ID for 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is LMGP01010913.

What is the topological polar surface area of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine?

The topological polar surface area of 2-Docosahexaenoin-1-oleoyl 3-phosphocholine is 111 Å².