CAS 80822-15-7: Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-
Description:Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-, with the CAS number 80822-15-7, is a chemical compound characterized by its structure, which includes a butanedioic acid backbone with two benzoyloxy groups attached at the 2 and 3 positions. This compound is typically encountered as a hydrate, indicating the presence of water molecules in its crystalline form. The (2S,3S) designation refers to its specific stereochemistry, indicating the spatial arrangement of atoms around the chiral centers, which can significantly influence its chemical behavior and biological activity. The presence of benzoyloxy groups suggests potential applications in organic synthesis and pharmaceuticals, as these groups can enhance solubility and reactivity. Additionally, the compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can affect its interactions in various chemical environments. Overall, this compound's unique structure and properties make it of interest in both research and industrial applications.
Formula:C18H14O8·H2O
InChI:InChI=1S/C18H14O8.H2O/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;/h1-10,13-14H,(H,19,20)(H,21,22);1H2/t13-,14-;/m0./s1
InChI key:InChIKey=DXDIHODZARUBLA-IODNYQNNSA-N
SMILES:O=C(OC(C(=O)O)C(OC(=O)C=1C=CC=CC1)C(=O)O)C=2C=CC=CC2.O
- Synonyms:
- (2S,3S)-(+)-dibenzoyl-D-tartaric acid monohydrate
- (2S,3S)-2,3-bis(benzoyloxy)butanedioic acid hydrate (1:1)
- <span class="text-smallcaps">D</span>-(+)-Dibenzoyl tartaric acid monohydrate
- Butanedioic acid, 2,3-bis(benzoyloxy)-, hydrate (1:1), (2S,3S)-
- Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, (2S,3S)-
- Butanedioic acid, 2,3-bis(benzoyloxy)-, monohydrate, [S-(R*,R*)]-
- D-(+)-Dbta.H2O
- DibenzoylDtartaricacidmonohydrate
- D-(+)-Dibenzoyl tartaric acid monohydrate
