(alphaR,betaS)-beta-(Acetylamino)-alpha-hydroxy-4-(phenylmethoxy)-benzenepropanoic Acid Ethyl Ester

Base Information

• Chemical Name: (alphaR,betaS)-beta-(Acetylamino)-alpha-hydroxy-4-(phenylmethoxy)-benzenepropanoic Acid Ethyl Ester
• CAS No.: 382596-25-0
• Molecular Formula: C20H23NO5
• Molecular Weight: 357.40
• DSSTox Substance ID: DTXSID10453220
• Wikidata: Q82274314
• Mol file: 382596-25-0.mol

Synonyms:382596-25-0;(alphaR,betaS)-beta-(Acetylamino)-alpha-hydroxy-4-(phenylmethoxy)-benzenepropanoic Acid Ethyl Ester;Ethyl (2R,3S)-3-acetamido-2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate;FT-0661048;DTXSID10453220;HRXCVPWHTCVYKB-RBUKOAKNSA-N;(|AR,|AS)-|A-(Acetylamino)-|A-hydroxy-4-(phenylmethoxy)-benzenepropanoic Acid Ethyl Ester

Chemical Property of (alphaR,betaS)-beta-(Acetylamino)-alpha-hydroxy-4-(phenylmethoxy)-benzenepropanoic Acid Ethyl Ester

Chemical Property:

• Appearance/Colour: Off-white Solid
• PSA: 88.35000
• LogP: 3.20710
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 357.15762283
• Heavy Atom Count: 26
• Complexity: 442

Purity/Quality:

96% ^*data from raw suppliers

(αR,βS)-β-(Acetylamino)-α-hydroxy-4-(phenylmethoxy)-benzenepropanoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C)O
• Isomeric SMILES: CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C)O
• Uses: (αR,βS)-β-(AcetylaMino)-α-hydroxy-4-(phenylMethoxy)-benzenepropanoic Acid Ethyl Ester can be used in the synthesis of Paclitaxel metabolite.

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