CAS 13265-84-4

1 2D Structure

CAS 13265-84-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

2.1.2 InChI

InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1

2.1.3 InChI Key

YVECGMZCTULTIS-PBXRRBTRSA-N

2.1.4 Canonical SMILES

C1=COC(C(C1O)O)CO

2.1.5 Isomeric SMILES

C1=CO[C@@H]([C@H]([C@@H]1O)O)CO

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1,2-dideoxy-d-arabino-hex-1-enopyranose

2.2.2 Depositor-Supplied Synonyms

1. 13265-84-4

2. (2r,3s,4r)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-3,4-diol

3. Glucal

4. D-arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-

5. 26566-29-0

6. Rel-(2r,3s,4r)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-3,4-diol

7. Mfcd09039277

8. Dgo

9. D-(+)-glucal

10. D-glucal, 96%

11. Schembl154476

12. Chembl2115567

13. Dtxsid60157685

14. Amy32678

15. Zinc4284522

16. Ac7562

17. Akos015924783

18. 1,2-dideoxy-d-arabino-1-hexenopyranose

19. Cs-11265

20. Cs-0204658

21. G0274

22. 265g844

23. A806470

24. Q5572298

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₄
Molecular Weight	146.14 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	146.05790880 g/mol
Monoisotopic Mass	146.05790880 g/mol
Topological Polar Surface Area	69.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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