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

CAS: 498-40-8 Cat. No.: S161224 Molecular Weight: 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

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

Specifications & Purity

≥98%(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488184732
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184732
• Canonical Smiles: 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
• Isomeric SMILES: C([C@@H](C(=O)O)N)S(=O)(=O)O
• PubChem CID: 72886
• Molecular Weight: 169.15
• Beilstein: 4533
• Reaxy-Rn: 1725495

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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

Chemical and Physical Properties

• Specific Rotation[α]: 8° (C=5,H2O)
• Melt Point(°C): 263 °C
• Molecular Weight: 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

References

1. Guan-Lan Huang, Ling Yang, Bo-Ying Ren, Xin-Yue Lv, Ling-Yi Song, Xia-Lin Dai, Jia-Mei Chen.  (2022)  Simultaneously improving the physicochemical and pharmacokinetic properties of vemurafenib through cocrystallization strategy.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2022.103230]

2. Xin Cao, Hongjuan Liu, Miao Yang, Kanmin Mao, Xinzheng Wang, Ziyu Chen, Mingqi Ran, Liping Hao.  (2024)  Evaluation of the nutritional quality of yeast protein in comparison to animal and plant proteins using growing rats and INFOGEST model.  FOOD CHEMISTRY,      [PMID:39303477] [10.1016/j.foodchem.2024.141178]

3. Hong-Bin Luo, Wen-Ze Chen, Yu-Hua Mo, Jia-Liang Gao, Guo-Qin Zhang, Yuan-Bo Tong, Dong-Qiang Cao, Xiao-Ming Ren.  (2025)  In Situ Polymer-Integrated Metal–Organic Framework for Solid-State Electrolyte Membrane.  INORGANIC CHEMISTRY,      [PMID:41088739] [10.1021/acs.inorgchem.5c04173]