(3R,4S)-1,3,4-trihydroxypentan-2-one

C5H10O4 — CID 101111958

IUPAC(3R,4S)-1,3,4-trihydroxypentan-2-one
SMILESC[C@H](O)[C@@H](O)C(=O)CO
InChIInChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h3,5-7,9H,2H2,1H3/t3-,5+/m0/s1
InChIKeyMRKRITSFTIHTAQ-WVZVXSGGSA-N
MW134.13 g/mol
LogP-1.71
Rot. Bonds3

About (3R,4S)-1,3,4-trihydroxypentan-2-one

(3R,4S)-1,3,4-trihydroxypentan-2-one (PubChem CID 101111958) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (3R,4S)-1,3,4-trihydroxypentan-2-one.

Molecular Properties

Compound Name(3R,4S)-1,3,4-trihydroxypentan-2-one
PubChem CID101111958
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(3R,4S)-1,3,4-trihydroxypentan-2-one
SMILESC[C@H](O)[C@@H](O)C(=O)CO
InChIInChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h3,5-7,9H,2H2,1H3/t3-,5+/m0/s1
InChIKeyMRKRITSFTIHTAQ-WVZVXSGGSA-N
XLogP-1.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dihydroxy-3-methylpentan-2-one
CID 13081578
1,3,4-trihydroxyhexane-2,5-dione
CID 15506784
5,6-dihydroxyheptane-2,4-dione
CID 156702092
actinium;(3R,4R)-1,3,4-trihydroxyhexane-2,5-dione
CID 59039792
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)-5-fluoro-1,3,4-trihydroxypentan-2-one
CID 130737250
phosphane;1,3,4,5-tetrahydroxypentan-2-one
CID 170344505
actinium;methyl 2,3,5-trihydroxy-4-oxopentanoate
CID 22955416

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,3,4-trihydroxypentan-2-one?
The IUPAC name of (3R,4S)-1,3,4-trihydroxypentan-2-one (CID 101111958) is (3R,4S)-1,3,4-trihydroxypentan-2-one.
What is the SMILES notation for (3R,4S)-1,3,4-trihydroxypentan-2-one?
The canonical SMILES for (3R,4S)-1,3,4-trihydroxypentan-2-one is C[C@H](O)[C@@H](O)C(=O)CO.
What is the InChIKey of (3R,4S)-1,3,4-trihydroxypentan-2-one?
The InChIKey is MRKRITSFTIHTAQ-WVZVXSGGSA-N. The full InChI is InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h3,5-7,9H,2H2,1H3/t3-,5+/m0/s1.
What are the key properties of (3R,4S)-1,3,4-trihydroxypentan-2-one?
(3R,4S)-1,3,4-trihydroxypentan-2-one has a molecular weight of 134.13 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,3,4-trihydroxypentan-2-one is sourced from PubChem (CID 101111958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).