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COCONUT Compound

aldehydo-D-galactose

CNP0324595.2 · C6H12O6 · View on COCONUT ↗

2D Structure

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Identifiers

Namealdehydo-D-galactose
IUPAC Name(2~{R},3~{S},4~{S},5~{R})-2,3,4,5,6-pentahydroxyhexanal
COCONUT IDCNP0324595.2
CAS26566-61-0, 59-23-4
InChIKeyGZCGUPFRVQAUEE-KCDKBNATSA-N
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1
SMILESO=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO

Properties

Molecular FormulaC6H12O6
Molecular Weight180.16
Exact Mass180.06339
Log P (ALogP)-3.38
TPSA118.22
H-Bond Donors / Acceptors5 / 6
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.28
NP-likeness2.27

Classification

NP PathwayCarbohydrates
NP SuperclassSaccharides
NP ClassMonosaccharides
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassFatty Acyls
Chemical SubclassFatty alcohols

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT
Cassia angustifolia as “Cassia angustifolia” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum L.” in COCONUT

References (63)

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  27. 10.1016/S0308-8146(00)00268-5
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  29. 10.1016/j.bse.2013.03.020
  30. 10.1021/JA02215A010
  31. 10.1021/JF60197A017
  32. 10.1021/NP50008A001
  33. 10.1021/NP50015A025
  34. 10.1021/NP50019A012
  35. 10.1021/NP50052A040
  36. 10.1034/J.1399-3054.2001.1120308.X
  37. 10.1038/MSB.2011.65
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  39. 10.1055/S-0028-1099548
  40. 10.1055/S-2006-959585

Showing 40 of 63. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.