rel-(1S,2R,3S,4R)-3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid - ≥97% , CAS No.121423-53-8

CAS: 121423-53-8 Cat. No.: R627453 Peso molecular: 200.19 Número EC: 979-484-9 PubChem CID: 11117053

GRADE & PURITY ≥97%

Synonyms

121423-53-8 | (1S,4R)-7-Oxabicyclo[2.2.1]heptane-2alpha,3alpha-dicarboxylic acid 2-methyl ester | (1R,2S,3R,4S)-3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid | SCHEMBL9460572 | EN300-6495766 | rac-(1R,2S,3R,4S)-3-(methoxycarbonyl)-7-oxabi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

121423-53-8 | (1S, 4R)-7-Oxabicyclo[2.2.1]heptane-2alpha, 3alpha-dicarboxylic acid 2-methyl ester | (1R, 2S, 3R, 4S)-3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid | SCHEMBL9460572 | EN300-6495766 | rac-(1R, 2S, 3R, 4S)-3-(methoxycarbonyl)-7-oxabi

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1C2CCC(C1C(=O)O)O2
• IUPAC Name: (1R,2S,3R,4S)-3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
• InChIKey: RTYHOZSKZMLUKB-UCROKIRRSA-N
• INCHI: 1S/C9H12O5/c1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11/h4-7H,2-3H2,1H3,(H,10,11)/t4-,5+,6-,7+/m1/s1
• Isómeros SMILES: COC(=O)[C@H]1[C@@H]2CC[C@H]([C@H]1C(=O)O)O2
• PubChem CID: 11117053
• Peso molecular: 200.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Oxolanes Methyl esters Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Methyl ester - Oxolane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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