Palmitoyleicosapentaenoyl phosphatidylcholine

Name: Palmitoyleicosapentaenoyl phosphatidylcholine
SKU: ACM99296772
Rating: 5 (1 reviews)

CAS

99296-77-2

Catalog Number

ACM99296772

Category

Other Products

Molecular Weight

780.07

Molecular Formula

C₄₄H₇₈NO₈P

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

(7R,13Z,16Z,19Z,22Z,25Z)-4-Hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-3,5,8-trioxa-4-phosphaoctacosa-13,16,19,22,25-pentaen-1-aminium 4-Oxide; 1-Palmitoyl-2-eicosapentaenoyl-sn-glycero-3-phosphocholine

IUPAC Name

[3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Canonical SMILES

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

InChI Key

KLTHQSWIRFFBRI-KOQZQRJKSA-N

Exact Mass

779.54700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Palmitoyleicosapentaenoyl phosphatidylcholine?

The molecular formula is C44H78NO8P.

When was Palmitoyleicosapentaenoyl phosphatidylcholine created and modified?

It was created on 2008-05-14 and modified on 2023-12-30.

What is the molecular weight of Palmitoyleicosapentaenoyl phosphatidylcholine?

The molecular weight is 780.1 g/mol.

What is the IUPAC name of Palmitoyleicosapentaenoyl phosphatidylcholine?

The IUPAC name is [3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the InChI of Palmitoyleicosapentaenoyl phosphatidylcholine?

The InChI is InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-

What is the XLogP3-AA value for Palmitoyleicosapentaenoyl phosphatidylcholine?

The XLogP3-AA value is 11.9.

How many hydrogen bond donor counts are there in Palmitoyleicosapentaenoyl phosphatidylcholine?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in Palmitoyleicosapentaenoyl phosphatidylcholine?

There are 8 hydrogen bond acceptor counts.

What is the topological polar surface area of Palmitoyleicosapentaenoyl phosphatidylcholine?

The topological polar surface area is 111.2.

Is the compound canonicalized?

Yes, the compound is canonicalized.