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(2R,3S)-N-Benzoyl-3-phenyl Isoserine Methyl Ester

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Category Human immunodeficiency Virus (HIV)
CAS 32981-85-4
Description Methyl (2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate is an intermediate in the preparation of potent anticancer drug Paclitaxel.
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Product Information

Synonyms (2R,3S)-Methyl 3-Benzoylamino-2-hydroxy-3-phenylpropanoate; LKT-T 0104; Methyl(-)-(2R,3S)-3-Benzoylamino-2-hydroxy-3-phenylpropionate; Methyl (2R,3S)-N-Benzoylphenylisoserinate; [R-(R*,S*)]-β-(benzoylamino)-α-hydroxybenzenepropanoic Acid Methyl Ester; (αR,βS)-β-(Benzoylamino)-α-hydroxybenzenepropanoic Acid Methyl Ester; Bz-RS-iSer(3-Ph)-OMe; (2R,3S)-N-tert-butoxycarbony-3-phenylisoserine methyl ester
IUPAC Name methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
Molecular Weight 299.32
Molecular Formula C17H17NO4
Canonical SMILES COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
InChI InChI=1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKey UYJLJICUXJPKTB-LSDHHAIUSA-N
Boiling Point 540.3±50.0 °C (Predicted)
Melting Point 181-183 °C
Flash Point 280.6±30.1 °C
Purity 97%
Density 1.236±0.06 g/cm3 (Predicted)
Solubility Slightly soluble in DMSO, Ethyl Acetate (Heated), Methanol
Appearance White to Pale Beige Solid
Storage 2-8 °C
Index Of Refraction 1.588
PSA 75.63000
Target HIV
Vapor Pressure 0.0±1.5 mmHg at 25°C

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