1,3,4-trihydroxyhexane-2,5-dione

C6H10O5 — CID 15506784

IUPAC1,3,4-trihydroxyhexane-2,5-dione
SMILESCC(=O)C(O)C(O)C(=O)CO
InChIInChI=1S/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h5-7,10-11H,2H2,1H3
InChIKeyKFHNTUHHTDAEOF-UHFFFAOYSA-N
MW162.14 g/mol
LogP-2.14
Rot. Bonds4

About 1,3,4-trihydroxyhexane-2,5-dione

1,3,4-trihydroxyhexane-2,5-dione (PubChem CID 15506784) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1,3,4-trihydroxyhexane-2,5-dione.

Molecular Properties

Compound Name1,3,4-trihydroxyhexane-2,5-dione
PubChem CID15506784
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1,3,4-trihydroxyhexane-2,5-dione
SMILESCC(=O)C(O)C(O)C(=O)CO
InChIInChI=1S/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h5-7,10-11H,2H2,1H3
InChIKeyKFHNTUHHTDAEOF-UHFFFAOYSA-N
XLogP-2.14
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione
CID 59039792
(3R,4R,5Z)-3,4,6-trihydroxy-5-hydroxyiminohexan-2-one
CID 59039789
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate
CID 22955416
4-ethyl-1,3-dihydroxyhexan-2-one
CID 174421327
(3R,4R)-1,3,4-trihydroxyhexan-2-one
CID 101111963
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 90469716
(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885
(3R,4R)-1,3,4-trihydroxy-5,5-dimethylhexan-2-one
CID 101111956
(3S,4R,5R)-6-amino-1,3,4,5,6-pentahydroxyhexan-2-one
CID 88743372
phosphane;1,3,4,5-tetrahydroxypentan-2-one
CID 170344505
(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one
CID 130737250

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trihydroxyhexane-2,5-dione?
The IUPAC name of 1,3,4-trihydroxyhexane-2,5-dione (CID 15506784) is 1,3,4-trihydroxyhexane-2,5-dione.
What is the SMILES notation for 1,3,4-trihydroxyhexane-2,5-dione?
The canonical SMILES for 1,3,4-trihydroxyhexane-2,5-dione is CC(=O)C(O)C(O)C(=O)CO.
What is the InChIKey of 1,3,4-trihydroxyhexane-2,5-dione?
The InChIKey is KFHNTUHHTDAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h5-7,10-11H,2H2,1H3.
What are the key properties of 1,3,4-trihydroxyhexane-2,5-dione?
1,3,4-trihydroxyhexane-2,5-dione has a molecular weight of 162.14 g/mol, XLogP of -2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trihydroxyhexane-2,5-dione is sourced from PubChem (CID 15506784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).