CAS 6081-61-4

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1 End Use APIs
10 Related Intermediates

Chemistry

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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

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 Formula	C₁₁H₁₃NO₅
Molecular Weight	239.22 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	239.07937252 g/mol
Monoisotopic Mass	239.07937252 g/mol
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263
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