Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate

Name: Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate
SKU: ACM94213624
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CAS

94213-62-4

Catalog Number

ACM94213624

Category

Other Products

Molecular Weight

1012.680940 [g/mol]

Molecular Formula

C61H121NO7S

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Specification

Synonyms

EINECS 303-767-2, Methyltris(2-octadecanoylethyl)ammonium hydrogen sulphate, 94213-62-4

IUPAC Name

hydrogen sulfate; methyl-tris(3-oxoicosyl)azanium

Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

InChI Key

HRAIMTSEQYIOFN-UHFFFAOYSA-M

EC Number

303-767-2

Exact Mass

1011.89000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate according to the reference?

The molecular formula of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate is C61H121NO7S.

When was Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate created according to the reference?

Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate was created on 2007-07-11.

What is the molecular weight of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate according to the reference?

The molecular weight of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate is 1012.7 g/mol.

What is the InChIKey of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate according to the reference?

The InChIKey of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate is HRAIMTSEQYIOFN-UHFFFAOYSA-M.

What is the Canonical SMILES of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate according to the reference?

The Canonical SMILES of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate is CCCCCCCCCCCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-].

How many hydrogen bond donor counts does Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate have according to the reference?

Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate has one hydrogen bond donor count.

How many hydrogen bond acceptor counts does Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate have according to the reference?

Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate has seven hydrogen bond acceptor counts.

What is the topological polar surface area of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate according to the reference?

The topological polar surface area of Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate is 137 Å².

How many rotatable bond counts does Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate have according to the reference?

Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate has 57 rotatable bond counts.

Is the compound Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate canonicalized according to the reference?

Yes, the compound Methyltris[2-octadecanoylethyl]ammonium hydrogen sulfate is canonicalized.