L-Cysteic acid monohydrate

C₃H₉NO₆SCAS 23537-25-9187.17 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfonic acid

Properties

Molecular formula: C₃H₉NO₆S
Molar mass: 187.17 g/mol
Exact mass: 187.0151 Da
logP: -2.54Crippen estimate
Polar surface area: 149.2 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

23537-25-9

SMILES

N[C@@H](CS(=O)(=O)O)C(=O)O.O

InChIKey

PCPIXZZGBZWHJO-DKWTVANSSA-N

InChI

InChI=1S/C3H7NO5S.H2O/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H2/t2-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

L-Alanine, 3-sulfo-, hydrate (1:1)
Alanine, 3-sulfo-, monohydrate, L-
L-Alanine, 3-sulfo-, monohydrate
(R)-2-Amino-3-sulfopropanoic acid hydrate
Cysteic acid monohydrate

Work with L-Cysteic acid monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Cysteic acid498-40-8Anhydrous

Similar compounds

(±)-Homocysteic acid504-33-662 % similar Dl-cysteine hydrochloride monohydrate116797-51-449 % similar Dl-glutamic acid monohydrate19285-83-749 % similar L-Lysine, hydrate (1:1)39665-12-849 % similar Asparagine monohydrate5794-13-849 % similar Cysteine hydrochloride monohydrate7048-04-649 % similar DL-Serine302-84-145 % similar D-Serine312-84-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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