Pyridinoline - ≥99% , CAS No.63800-01-1

CAS: 63800-01-1 Cat. No.: P949803 분자식: C₁₈H₂₈N₄O₈ 분자량: 428.44 PubChem CID: 105068

등급 & 순도 ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

사양 및 순도

≥99%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

정식 스마일

C1=C(C(=C(C=[N+]1CC(CCC(C(=O)[O-])N)O)O)CC(C(=O)O)N)CCC(C(=O)O)N

IUPAC Name

(2S,5R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoate

InChIKey

LCYXYLLJXMAEMT-SAXRGWBVSA-N

INCHI

1S/C18H28N4O8/c19-12(16(25)26)3-1-9-6-22(7-10(23)2-4-13(20)17(27)28)8-15(24)11(9)5-14(21)18(29)30/h6,8,10,12-14,23H,1-5,7,19-21H2,(H3-,24,25,26,27,28,29,30)/t10-,12+,13+,14+/m1/s1

이성체 SMILES

C1=C(C(=C(C=[N+]1C[C@@H](CC[C@@H](C(=O)[O-])N)O)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N

PubChem CID

105068

분자량

428.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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: Tricarboxylic acids and derivatives Aralkylamines Hydroxypyridines Pyridinium derivatives Heteroaromatic compounds Amino acids Secondary alcohols Carboxylic acid salts Carboxylic acids Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Monoalkylamines Organic oxides Organic salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - Tricarboxylic acid or derivatives - Hydroxypyridine - Aralkylamine - Pyridine - Pyridinium - Heteroaromatic compound - Carboxylic acid salt - Amino acid - Secondary alcohol - Carboxylic acid - Azacycle - Organoheterocyclic compound - Alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• 설명: 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: Not available

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

화학 및 물리적 특성

• 분자량: 428.400 g/mol
• XLogP3: -8.600
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 428.191 Da
• Monoisotopic Mass: 428.191 Da
• Topological Polar Surface Area: 237.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 587.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 63800-01-1, the molecular formula is C18H28N4O8, and the molecular weight is 428.44 g/mol. InChIKey LCYXYLLJXMAEMT-SAXRGWBVSA-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.