(3R)-3-aminooxolane-3-carboxylic acid - ≥97% , CAS No.1315053-78-1

CAS: 1315053-78-1 Cat. No.: A628258 Molecular Weight: 131.13

GRADE & PURITY ≥97%

Synonyms

(R)-3-Amino-tetrahydro-furan-3-carboxylic acid | (R)-3-aminotetrahydrofuran-3-carboxylic acid | SCHEMBL16868374 | BDBM50070635 | AKOS006289485 | (R)-3-aminotetrahydrofuran-3-carboxylicacid | BS-42944 | (3R)-3-aminooxolane-3-carboxylic acid | 1315053-78-1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-3-Amino-tetrahydro-furan-3-carboxylic acid | (R)-3-aminotetrahydrofuran-3-carboxylic acid | SCHEMBL16868374 | BDBM50070635 | AKOS006289485 | (R)-3-aminotetrahydrofuran-3-carboxylicacid | BS-42944 | (3R)-3-aminooxolane-3-carboxylic acid | 1315053-78-1

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COCC1(C(=O)O)N
• IUPAC Name: (3R)-3-aminooxolane-3-carboxylic acid
• InChIKey: ATUWXXVBEAYCSQ-RXMQYKEDSA-N
• INCHI: 1S/C5H9NO3/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1
• Isomeric SMILES: C1COC[C@]1(C(=O)O)N
• Alternate CAS: 1315053-78-1
• Molecular Weight: 131.13
• Reaxy-Rn: 4379324
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4379324&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Furanoid amino acids and derivatives
• Alternative Parents: L-alpha-amino acids D-alpha-amino acids Oxolanes Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Furanoid amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Oxolane - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Primary amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 131.130 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 131.058 Da
• Monoisotopic Mass: 131.058 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 136.000
• 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