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Structure

[2-Hydroxy-3-[(1-oxooctadecyl)oxy]propyl]dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride

CAS
93981-10-3
Catalog Number
ACM93981103
Category
Other Products
Molecular Weight
745.64146
Molecular Formula
C44H89ClN2O4

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Specification

Synonyms
[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl]dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
What is the molecular formula of the compound with PubChem CID 3023153?

The molecular formula is C44H89ClN2O4.

When was this compound created and last modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is (2-hydroxy-3-octadecanoyloxypropyl)-dimethyl-[3-(octadecanoylamino)propyl]azanium; chloride.

What is the InChIKey of the compound?

The InChIKey is GLKMYDGRQJPSHD-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the exact mass of the compound?

The exact mass is 744.6510870 g/mol.

How many rotatable bond counts does the compound have?

The compound has 41 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 75.6 Å2.

How many defined atom stereocenter counts does the compound have?

The compound has 0 defined atom stereocenter counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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