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Pretyrosine
[CAS# 53078-86-7]

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CAS#: 53078-86-7
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Identification
Name Pretyrosine
Synonyms 1-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-4-Hydroxy-Cyclohexa-2,5-Diene-1-Carboxylic Acid; 1-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-4-Hydroxy-1-Cyclohexa-2,5-Dienecarboxylic Acid; 1-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propyl]-4-Hydroxy-Cyclohexa-2,5-Diene-1-Carboxylic Acid
Molecular Structure CAS#: 53078-86-7, Pretyrosine
Molecular Formula C10H13NO5
Molecular Weight 227.22
CAS Registry Number 53078-86-7
SMILES [C@H](N)(CC1(C=CC(O)C=C1)C(O)=O)C(O)=O
InChI 1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1
InChIKey MIEILDYWGANZNH-DSQUFTABSA-N
Properties
Density 1.481g/cm3 (Cal.)
Boiling point 510.249°C at 760 mmHg (Cal.)
Flash point 262.389°C (Cal.)
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