Oxetin - ≥98% , CAS No.94818-85-6

CAS: 94818-85-6 Cat. No.: O1318579 Formula: C₄H₇NO₃ Peso molecolare: 117.1

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1[C@@H]([C@@H](O1)C(=O)O)N
• IUPAC Name: (2R,3S)-3-aminooxetane-2-carboxylic acid
• InChIKey: UTIYGJDWWLIDQY-STHAYSLISA-N
• INCHI: 1S/C4H7NO3/c5-2-1-8-3(2)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3+/m0/s1
• Peso molecolare: 117.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Oxetane amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Oxetane amino acids and derivatives
• Alternative Parents: Beta amino acids and derivatives Oxetanes Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane amino acid - Beta amino acid or derivatives - Amino acid or derivatives - Amino acid - Oxetane - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Amine - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxetane amino acids and derivatives. These are sugar amino acids containing an oxetane ring between the carboxy- and the amino terminals of the amino acid chain.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 117.100 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 117.043 Da
• Monoisotopic Mass: 117.043 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 114.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 94818-85-6, the molecular formula is C4H7NO3, and the molecular weight is 117.1 g/mol. InChIKey UTIYGJDWWLIDQY-STHAYSLISA-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.