CAS 5874-57-7

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CHEMISTRY

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Chemistry

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Also known as: 5874-57-7, H-d-ser-ome.hcl, (r)-methyl 2-amino-3-hydroxypropanoate hydrochloride, D-serine, methyl ester, hydrochloride, D-serine methyl ester, hcl, H-d-ser-ome hcl

Molecular Formula

C₄H₁₀ClNO₃

Molecular Weight

155.58 g/mol

InChI Key

NDBQJIBNNUJNHA-AENDTGMFSA-N

1 2D Structure

CAS 5874-57-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R)-2-amino-3-hydroxypropanoate;hydrochloride

2.1.2 InChI

InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m1./s1

2.1.3 InChI Key

NDBQJIBNNUJNHA-AENDTGMFSA-N

2.1.4 Canonical SMILES

COC(=O)C(CO)N.Cl

2.1.5 Isomeric SMILES

COC(=O)[C@@H](CO)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5874-57-7

2. H-d-ser-ome.hcl

3. (r)-methyl 2-amino-3-hydroxypropanoate Hydrochloride

4. D-serine, Methyl Ester, Hydrochloride

5. D-serine Methyl Ester, Hcl

6. H-d-ser-ome Hcl

7. D-serine Methyl Ester Hcl

8. (d)-serine Methyl Ester Hydrochloride

9. Methyl (2r)-2-amino-3-hydroxypropanoate;hydrochloride

10. Methyl D-serinate Hydrochloride

11. Mfcd00066121

12. D-ser-ome Hcl

13. Schembl74754

14. Amot0187

15. Dtxsid10466057

16. (d)-serine Methyl Ester Hcl Salt

17. Act05963

18. Akos016842312

19. Cs-w016249

20. Hy-w015533

21. Ac-22365

22. Ac-22366

23. Ds-14400

24. D-serine Methyl Ester Hydrochloride, 98%

25. A7382

26. Am20100431

27. (r)-methyl 2-amino-3-hydroxypropanoate -hcl

28. 874s577

29. W-203207

30. (2r)-3-hydroxy-1-methoxy-1-oxopropan-2-aminium Chloride

31. (r)-methyl 2-amino-3-hydroxypropanoate Hydrochloride Salt

32. (r)-2-amino-3-hydroxy-propionic Acid Methyl Ester Hydrochloride

33. (r)-2-amino-3-hydroxy-propionic Acid Methyl Ester; Hydrochloride

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₀ClNO₃
Molecular Weight	155.58 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	155.0349209 g/mol
Monoisotopic Mass	155.0349209 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.4
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	2