L-Cysteic Acid - ≥98%(T) , CAS No.498-40-8

CAS: 498-40-8 Cat. No.: S161224 Formule: C₃H₇NO₅S Poids moléculaire: 169.15 Beilstein Registry Number: 4533 PubChem CID: 72886

GRADE & PURITY ≥98%(T)

Synonyms

EN300-302681 | NSC-254030 | Cipteic acid | (R)-2-Amino-3-sulfopropanoic acid | 3-sulfo-L-alanine | D81957 | Cysteic acid (VAN) | alpha-amino-beta-sulfopropionic acid | Trifluoromethyl methyl ketone | M6W2DJ6N5K | (R)-cysteate | (2R)-2-amino-3-sulfo-propio

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

EN300-302681 | NSC-254030 | Cipteic acid | (R)-2-Amino-3-sulfopropanoic acid | 3-sulfo-L-alanine | D81957 | Cysteic acid (VAN) | alpha-amino-beta-sulfopropionic acid | Trifluoromethyl methyl ketone | M6W2DJ6N5K | (R)-cysteate | (2R)-2-amino-3-sulfo-propio

Spécifications et pureté

≥98%(T)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(T)

Noms et identifiants

Pubchem Sid

488184732

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184732

Sourires canoniques

C(C(C(=O)O)N)S(=O)(=O)O

IUPAC Name

(2R)-2-amino-3-sulfopropanoic acid

InChIKey

XVOYSCVBGLVSOL-REOHCLBHSA-N

INCHI

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

Isomères SMILES

C([C@@H](C(=O)O)N)S(=O)(=O)O

PubChem CID

72886

Poids moléculaire

169.15

Beilstein

4533

Reaxy-Rn

1725495

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: non-proteinogenic L-alpha-amino acid - L-cysteine derivative - amino sulfonic acid - L-alanine derivative - cysteic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Rotation spécifique [α]: 8° (C=5,H2O)
• Point de fusion (°C): 263 °C
• Poids moléculaire: 169.160 g/mol
• XLogP3: -4.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 169.004 Da
• Monoisotopic Mass: 169.004 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 214.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 498-40-8, the molecular formula is C3H7NO5S, and the molecular weight is 169.15 g/mol. InChIKey XVOYSCVBGLVSOL-REOHCLBHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.