Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate

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CAS
93805-87-9
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Purity
96%
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Catalog Number

ACM93805879

Product Name

Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate

CAS

93805-87-9

Category

Heterocyclic Organic Compound

Synonyms

EINECS 298-572-1, Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate, 93805-87-9

IUPAC Name

calcium;2-(3-carboxylatopropanoylamino)-4-methylsulfanylbutanoate

Molecular Weight

287.3462

Molecular Formula

C9H15 N O5 S . Ca

Canonical SMILES

CSCCC(C(=O)[O-])NC(=O)CCC(=O)[O-].[Ca+2]

InChI Key

PTINZVAKLQSFJY-UHFFFAOYSA-L

Density

g/cm³

EC Number

298-572-1

Exact Mass

287.01400

H-Bond Acceptor

6

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The molecular formula is C9H13CaNO5S.

What are the synonyms of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The synonyms are EINECS 298-572-1 and 93805-87-9.

What is the molecular weight of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The molecular weight is 287.35 g/mol.

What is the IUPAC name of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The IUPAC name is calcium;2-(3-carboxylatopropanoylamino)-4-methylsulfanylbutanoate.

What is the InChI of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The InChI is InChI=1S/C9H15NO5S.Ca/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13;/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2.

What is the InChIKey of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The InChIKey is PTINZVAKLQSFJY-UHFFFAOYSA-L.

What is the canonical SMILES of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The canonical SMILES is CSCCC(C(=O)[O-])NC(=O)CCC(=O)[O-].[Ca+2].

What is the CAS number of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The CAS number is 93805-87-9.

What is the European Community (EC) Number of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The EC Number is 298-572-1.

What is the formal charge of Calcium N-(3-carboxylato-1-oxopropyl)-DL-methionate?

The formal charge is 0.

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