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2D Structure
Also known as: 2-deoxy-d-glucopyranose, D-arabino-2-deoxyhexose, Chebi:84755, (4r,5s,6r)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,4,5-triol, 2-deoxyhexose, (4r,5s,6r)-6-(hydroxymethyl)oxane-2,4,5-triol
Molecular Formula
C6H12O5
Molecular Weight
164.16  g/mol
InChI Key
PMMURAAUARKVCB-CERMHHMHSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
2.1.2 InChI
InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1
2.1.3 InChI Key
PMMURAAUARKVCB-CERMHHMHSA-N
2.1.4 Canonical SMILES
C1C(C(C(OC1O)CO)O)O
2.1.5 Isomeric SMILES
C1[C@H]([C@@H]([C@H](OC1O)CO)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-deoxy-d-glucopyranose

2. D-arabino-2-deoxyhexose

3. Chebi:84755

4. (4r,5s,6r)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,4,5-triol

5. 2-deoxyhexose

6. (4r,5s,6r)-6-(hydroxymethyl)oxane-2,4,5-triol

7. Nsc 15193

8. Smr000857164

9. 2-deoxyglucopyranose

10. 2-deoxymannopyranose

11. 2-dglc

12. [3h]2-deoxyglucose

13. [3h]-2-deoxyglucose

14. Starbld0016184

15. 2-deoxy-d-mannopyranose

16. Schembl7669

17. Mls001332441

18. Mls001332442

19. Gtpl4643

20. Chembl1377788

21. 2-deoxy-d-glucose, Min. 98%

22. 2-deoxyglucose (anomeric Mixture)

23. Bio1_000485

24. Bio1_000974

25. Bio1_001463

26. Dtxsid501019205

27. Hms2234m06

28. S4701

29. Akos024458197

30. Ac-2616

31. Bs-1031

32. Ccg-266307

33. Cs-1718

34. Ncgc00247029-01

35. Ncgc00247029-04

36. Hy-13966

37. C00586

38. 154d176

39. (4r,5s,6r)-6-methyloltetrahydropyran-2,4,5-triol

40. Wurcs=2.0/1,1,0/[ad122h-1x_1-5]/1/

2.3 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 164.16 g/mol
Molecular Formula C6H12O5
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass164.06847348 g/mol
Monoisotopic Mass164.06847348 g/mol
Topological Polar Surface Area90.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1