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Also known as: 88784-33-2, (2s)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic acid, Dtxsid50455228, Ec 443-560-5, Refchem:398650, Dtxcid40406047

Molecular Formula

C₂₀H₁₇NO₆

Molecular Weight

367.4 g/mol

InChI Key

MQUZTINHMZQECR-INIZCTEOSA-N

1 2D Structure

88784-33-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic acid

2.1.2 InChI

InChI=1S/C20H17NO6/c22-17(27-12-13-6-2-1-3-7-13)11-10-16(20(25)26)21-18(23)14-8-4-5-9-15(14)19(21)24/h1-9,16H,10-12H2,(H,25,26)/t16-/m0/s1

2.1.3 InChI Key

MQUZTINHMZQECR-INIZCTEOSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 88784-33-2

2. (2s)-2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoic Acid

3. Dtxsid50455228

4. Ec 443-560-5

5. Refchem:398650

6. Dtxcid40406047

7. 5-(phenylmethyl) (2s)-2-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)pentanedioate

8. 443-560-5

9. (s)-5-(benzyloxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic Acid

10. C20h17no6

11. Mfcd13152207

12. (s)-5-(benzyloxy)-2-(1,3- Dioxoisoindolin-2-yl)-5- Oxopentanoic Acid

13. Schembl1329008

14. 5-benzyl(s)-2-phthalimidoglutarate

15. (s)-2-(1,3-dioxo-1,3-dihydroisoindol-2-yl)pentanedioic Acid 5-benzyl Ester

16. Akos016007957

17. Ds-17613

18. Sy105725

19. Db-019645

20. Cs-0156250

21. C76978

22. 784b332

23. F234435

24. (s)-2-phthalimido-5-oxo-5-(phenylmethoxy)-pentanoic Acid

25. (s)-2-phthalimido-5-oxo-5-(phenylmethoxy)pentanoic Acid

26. (s)-5-(benzyloxy)-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoicacid

27. (2s)-5-benzyloxy-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic Acid

28. (s)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanedioic Acid 5-benzyl Ester

29. Alpha(s)-(2-benzyloxycarbonylethyl)-1,3-dihydro-1,3-dioxo-2-isoindoleacetic Acid

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₇NO₆
Molecular Weight	367.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	101
Heavy Atom Count	27
Formal Charge	0
Complexity	573
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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