Structure

Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate

CAS
97403-98-0
Catalog Number
ACM97403980
Category
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What is the molecular formula of Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate?

The molecular formula is C22H43NaO6S.

What is the molecular weight of Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate?

The molecular weight is 458.6 g/mol.

What is the IUPAC name of Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate?

The IUPAC name is sodium;[1-(2-methylpropoxy)-1-oxooctadecan-9-yl] sulfate.

What is the InChI key of Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate?

The InChI key is VKEMWFFAOFSIJU-UHFFFAOYSA-M.

How many hydrogen bond acceptor counts does Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate have?

It has 6 hydrogen bond acceptor counts.

What is the exact mass of Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate?

The exact mass is 458.26780454 g/mol.

How many rotatable bond count does Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate have?

It has 21 rotatable bond counts.

What is the topological polar surface area of Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate?

The topological polar surface area is 101 Ų.

How many heavy atom counts does Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate have?

It has 30 heavy atom counts.

Is Sodium 1-(2-methylpropyl)9-(sulphooxy)octadecanoate canonicalized?

Yes, the compound is canonicalized.

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