Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci)

Name: Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci)
SKU: ACM94088003
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CAS

94088-00-3

Catalog Number

ACM94088003

Category

Other Products

Molecular Weight

502.3780442

Molecular Formula

C₂₁H₂₈FO₈P.2Na

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Specification

Synonyms

EINECS 301-996-2, 94088-00-3, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11beta)-

IUPAC Name

disodium [2-[(10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate

Canonical SMILES

CC12CC(C3(C(C1CCC2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=CC43C)F)O.[Na+].[Na+]

InChI Key

RJCHGSGXNBHMRH-PNOXNERVSA-L

Density

g/cm³

EC Number

301-996-2

Exact Mass

502.11400

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci)?

The molecular formula of Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci) is C21H26FNa2O8P.

What are some synonyms of Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci)?

Some synonyms include DTXSID60240460.

What is the molecular weight of Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci)?

The molecular weight is 502.4 g/mol.

What is the IUPAC Name of this compound?

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

What is the Canonical SMILES of Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci)?

The Canonical SMILES is CC12CC(C3(C(C1CCC2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=CC43C)F)O.[Na+].[Na+].

What is the InChIKey of this compound?

The InChIKey is RJCHGSGXNBHMRH-PNOXNERVSA-L.

How many hydrogen bond donor counts does Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-21-(phosphonooxy)-,disodium salt,(11b)-(9ci) have?

It has 2 hydrogen bond donor counts.

What is the exact mass of this compound?

The exact mass is 502.11447151 g/mol.

How many heavy atoms does this compound contain?

It contains 33 heavy atoms.

Is the compound canonicalized?

Yes, the compound is canonicalized.