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Chemistry

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Also known as: 34487-86-0, Tyr-nca, 4-((4-hydroxyphenyl)methyl)oxazolidine-2,5-dione, Einecs 252-059-9, L-tyrosine n-carboxy anhydride, Mfcd11046653
Molecular Formula
C10H9NO4
Molecular Weight
207.18  g/mol
InChI Key
HOEAPYNDVBABMC-UHFFFAOYSA-N

L-Tyr(OAC)NCA
1 2D Structure

L-Tyr(OAC)NCA

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(4-hydroxyphenyl)methyl]-1,3-oxazolidine-2,5-dione
2.1.2 InChI
InChI=1S/C10H9NO4/c12-7-3-1-6(2-4-7)5-8-9(13)15-10(14)11-8/h1-4,8,12H,5H2,(H,11,14)
2.1.3 InChI Key
HOEAPYNDVBABMC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CC2C(=O)OC(=O)N2)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 34487-86-0

2. Tyr-nca

3. 4-((4-hydroxyphenyl)methyl)oxazolidine-2,5-dione

4. Einecs 252-059-9

5. L-tyrosine N-carboxy Anhydride

6. Mfcd11046653

7. L-tyr-nca

8. 4-(4-hydroxybenzyl)oxazolidine-2,5-dione

9. (s)-4-(4-hydroxy-benzyl)-oxazolidine-2,5-dione

10. Schembl8888698

11. Dtxsid30956021

12. Act12041

13. Ab89261

14. Sy068880

15. Ft-0698285

16. 2-hydroxy-4-[(4-hydroxyphenyl)methyl]-1,3-oxazol-5(4h)-one

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 207.18 g/mol
Molecular Formula C10H9NO4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass207.05315777 g/mol
Monoisotopic Mass207.05315777 g/mol
Topological Polar Surface Area75.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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