Compound Q&A

What are the physical and chemical properties of (6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 99665-00-6)?

Answer

(6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
This compound is a crystalline solid with a high molecular weight. It is slightly soluble in water and has a high reactivity due to its carbonyl group and sulfur-containing functionalities. It exhibits good solubility in common organic solvents like DMSO and DMF. Reactivity studies show that it is susceptible to nucleophilic attack and can undergo various chemical transformations. It has a melting point of around 230-235°C.

About

CAS No 99665-00-6
English Name (6R,7R)-7-({[(Difluoromethyl)sulfanyl]acetyl}amino)-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula C15H18F2N6O7S2
Molecular Weight 496.47 g/mol
SMILES COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F
InChIKey UHRBTBZOWWGKMK-DOMZBBRYSA-N
Last Updated: 2025-10-23 07:31

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