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2D Structure
Also known as: Dl-asparagine hydrate, 3130-87-8, 69833-18-7, 2,4-diamino-4-oxobutanoic acid hydrate, 2,4-diamino-4-oxobutanoic acid;hydrate, D-asparaginemonohydrate
Molecular Formula
C4H10N2O4
Molecular Weight
150.13  g/mol
InChI Key
RBMGJIZCEWRQES-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4-diamino-4-oxobutanoic acid;hydrate
2.1.2 InChI
InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
2.1.3 InChI Key
RBMGJIZCEWRQES-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(C(=O)O)N)C(=O)N.O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dl-asparagine Hydrate

2. 3130-87-8

3. 69833-18-7

4. 2,4-diamino-4-oxobutanoic Acid Hydrate

5. 2,4-diamino-4-oxobutanoic Acid;hydrate

6. D-asparaginemonohydrate

7. H-dl-asn-oh

8. Dl-aspartic Acid 4-amide

9. Mfcd00151039

10. Dl-asparagine, Monohydrate

11. Asparagine, Monohydrate(9ci)

12. L-asparagine-[amide-15n] Monohydrate

13. 204451-47-8

14. D,l-asn.h2o

15. Schembl50254

16. Asparagine, D-l-, Monohydrate

17. L-asparagine-4-13c Monohydrate

18. Bcp26438

19. 2,4-diamino-4-oxobutanoicacidhydrate

20. Akos016001349

21. (+/-)-2-aminosuccinic Acid 4-amide

22. Ac-24125

23. As-12270

24. Db-015365

25. Db-048007

26. Am20090442

27. Cs-0188414

28. Dl-asparagine Monohydrate, >=99.0% (nt)

29. Ft-0609962

30. Ft-0624454

31. Ft-0625440

32. Ft-0627707

33. En300-71864

34. A-9020

35. L-asparagine Hydrate Pound>>l(+)-asparagine Monohydrate

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 150.13 g/mol
Molecular Formula C4H10N2O4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass150.06405680 g/mol
Monoisotopic Mass150.06405680 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2