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Structure

1-O-Hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine

CAS
96801-55-7
Catalog Number
ACM96801557
Category
Other Products
Molecular Weight
539.75
Molecular Formula
C26H54NO6PS

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Specification

Synonyms
2-THIO PAF;1-O-HEXADECYL-2-DEOXY-2-THIO-S-ACETYL-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
Appearance
A solution in ethanol
What is the molecular formula of 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

The molecular formula is C26H54NO6PS.

What is the molecular weight of 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

The molecular weight is 539.8 g/mol.

When was 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine created?

It was created on 2006-10-25.

What is the IUPAC name of 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

The IUPAC name is [(2R)-2-acetylsulfanyl-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the Canonical SMILES representation of 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

The Canonical SMILES is CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)C.

How many hydrogen bond acceptors are there in 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

There are 7 hydrogen bond acceptors.

What is the topological polar surface area of 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

The topological polar surface area is 110 Ų.

How many rotatable bonds are there in 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

There are 26 rotatable bonds.

Is 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine considered canonicalized?

Yes, it is considered canonicalized.

What is the InChIKey of 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine?

The InChIKey is YPPZOKNKENLFTE-AREMUKBSSA-N.

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