2-Deoxy-D-Glucose

Synopsis, Chemistry

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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

2-Deoxy-D-Glucose

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 Formula	C₆H₁₂O₅
Molecular Weight	164.16 g/mol
XLogP3	-1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	164.06847348 g/mol
Monoisotopic Mass	164.06847348 g/mol
Topological Polar Surface Area	90.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1