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Also known as: 6081-61-4, N-cbz-d-serine, Cbz-d-ser-oh, N-carbobenzoxy-d-serine, Z-d-serine, N-benzyloxycarbonyl-d-serine
Molecular Formula
C11H13NO5
Molecular Weight
239.22  g/mol
InChI Key
GNIDSOFZAKMQAO-SECBINFHSA-N

CAS 6081-61-4
1 2D Structure

CAS 6081-61-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
2.1.2 InChI
InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m1/s1
2.1.3 InChI Key
GNIDSOFZAKMQAO-SECBINFHSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)O
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CO)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6081-61-4

2. N-cbz-d-serine

3. Cbz-d-ser-oh

4. N-carbobenzoxy-d-serine

5. Z-d-serine

6. N-benzyloxycarbonyl-d-serine

7. (r)-2-(((benzyloxy)carbonyl)amino)-3-hydroxypropanoic Acid

8. D-serine, N-[(phenylmethoxy)carbonyl]-

9. Chembl245258

10. (2r)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic Acid

11. Cbz-d-serine

12. Benzyloxycarbonyl-d-serine

13. Mfcd00063144

14. (r)-cbz-serine

15. Carbobenzyloxy-d-serine

16. Schembl295865

17. ((benzyloxy)carbonyl)-d-serine

18. (r)-n-(benzyloxycarbonyl)serine

19. (2r)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxypropanoic Acid

20. Bdbm50389010

21. Zinc82067922

22. Akos016842340

23. Akos025117329

24. Akos030228106

25. Am82212

26. Cs-w012820

27. Hy-w012104

28. Ac-17150

29. As-12752

30. 081z614

31. A832902

32. J-300244

33. (2r)-2-benzyloxycarbonylamino-3-hydroxypropionic Acid

34. (2r)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoic Acid

35. (2r)-3-hydroxy-2-[(phenylmethoxy)carbonylamino]propanoic Acid

36. (r)-2-(benzyloxycarbonylamino)-3-hydroxypropanoic Acid

37. (r)-2-benzyloxycarbonylamino-3-hydroxy-propionic Acid

2.3 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 239.22 g/mol
Molecular Formula C11H13NO5
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass239.07937252 g/mol
Monoisotopic Mass239.07937252 g/mol
Topological Polar Surface Area95.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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