Structure

Pregna-1,4-diene-3,20-dione,9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-,disodium salt,(11beta,16beta)-

CAS
94135-39-4
Catalog Number
ACM94135394
Category
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What is the molecular formula of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The molecular formula is C22H28ClNa2O8P.

What is the molecular weight of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The molecular weight is 532.9 g/mol.

What is the IUPAC name of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The IUPAC name is disodium;[2-[(10S,11S,13S,16S,17R)-9-chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate.

What is the InChIKey of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The InChIKey is SIKHUOWRLRCONQ-GUVJFHCYSA-L.

How many hydrogen bond donor count does Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta) have?

It has 2 hydrogen bond donor count.

What is the hydrogen bond acceptor count of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

It has 8 hydrogen bond acceptor count.

What is the exact mass of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The exact mass is 532.1005711 g/mol.

How many rotatable bond count does Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta) have?

It has 3 rotatable bond count.

What is the topological polar surface area of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The topological polar surface area is 147 Å^2.

What is the heavy atom count of Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)?

The heavy atom count is 34.

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