7-Amino-3-(methoxymethyl)-3-cephem-4-carboxylic Acid - ≥97% , CAS No.24701-69-7

CAS: 24701-69-7 Cat. No.: A334274 Molecular Weight: 244.27

GRADE & PURITY ≥97%

Synonyms

AKOS015999168 | 7-amino-3-methoxymethyl-3-cephem-4-carboxylic acid | 7-Amino -3-methoxycephalosporanic Acid | BS-41663 | W16720 | A877828 | BCP12162 | SCHEMBL6652320 | MFCD09839433 | (6R,7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

AKOS015999168 | 7-amino-3-methoxymethyl-3-cephem-4-carboxylic acid | 7-Amino -3-methoxycephalosporanic Acid | BS-41663 | W16720 | A877828 | BCP12162 | SCHEMBL6652320 | MFCD09839433 | (6R, 7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764897
• Canonical Smiles: COCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
• IUPAC Name: (6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• InChIKey: BDSDFCVDQUGOFB-SVGQVSJJSA-N
• INCHI: 1S/C9H12N2O4S/c1-15-2-4-3-16-8-5(10)7(12)11(8)6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5-,8-/m1/s1
• Isomeric SMILES: COCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
• Molecular Weight: 244.27
• Reaxy-Rn: 11735937
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11735937&ln=

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Cephems 1,3-thiazines Tertiary carboxylic acid amides Azetidines Amino acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Ether - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 244.270 g/mol
• XLogP3: -4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 244.052 Da
• Monoisotopic Mass: 244.052 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 382.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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