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COCONUT Compound

D-Arabinitol

CNP0264488.3 · C5H12O5 · View on COCONUT ↗

2D Structure

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Identifiers

NameD-Arabinitol
IUPAC Name(2~{R},4~{R})-pentane-1,2,3,4,5-pentol
COCONUT IDCNP0264488.3
CAS488-82-4, 2152-56-9, 6018-27-5
InChIKeyHEBKCHPVOIAQTA-QWWZWVQMSA-N
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1
SMILESOC[C@@H](O)C(O)[C@H](O)CO

Properties

Molecular FormulaC5H12O5
Molecular Weight152.15
Exact Mass152.06847
Log P (ALogP)-2.95
TPSA101.15
H-Bond Donors / Acceptors5 / 5
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.30
NP-likeness1.32

Classification

NP PathwayCarbohydrates
NP SuperclassSaccharides
NP ClassMonosaccharides
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassCarbohydrates and carbohydrate conjugates

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Withania somnifera as “Withania somnifera” in COCONUT
Piper solmsianum as “Piper solmsianum” in COCONUT

References (14)

  1. 10.1016/0008-6215(88)85057-2
  2. 10.1016/0031-9422(77)83027-6
  3. 10.1016/0031-9422(91)84139-J
  4. 10.1016/J.POSTHARVBIO.2011.05.014
  5. 10.1016/j.indcrop.2016.06.022
  6. 10.1021/NP9003728
  7. 10.1071/CH9890995
  8. 10.1080/00021369.1962.10858030
  9. 10.1111/1750-3841.12491
  10. 10.1111/PCE.12714
  11. 10.1248/CPB.51.32
  12. 10.1371/JOURNAL.PONE.0206641
  13. 10.3987/COM-07-11315
  14. 10.5586/ASBP.1979.002

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.