4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

C6H10O5 — CID 14299935

IUPAC4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
SMILESO=C1COC(CO)C(O)C1O
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2
InChIKeyOCLOLUFOLJIQDC-UHFFFAOYSA-N
MW162.14 g/mol
LogP-2.33
Rot. Bonds1

About 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one (PubChem CID 14299935) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one.

Molecular Properties

Compound Name4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
PubChem CID14299935
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
SMILESO=C1COC(CO)C(O)C1O
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2
InChIKeyOCLOLUFOLJIQDC-UHFFFAOYSA-N
XLogP-2.33
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-one
CID 11847930
[(3R,4S)-3,4-dihydroxy-5-oxooxan-2-yl]methyl propanoate
CID 59906311
4,5-dihydroxyoxolan-3-one
CID 174900743
[(2R,3S,4S)-3,4-dihydroxy-5-oxooxan-2-yl]methyl hexadecanoate
CID 11025777
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one
CID 102256723
(4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
CID 89030305
(7R)-3-(hydroxymethyl)-4-oxatricyclo[6.2.1.02,7]undec-9-en-6-one
CID 177108773
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
1,7-dihydroxy-2-(hydroxymethyl)-3-oxabicyclo[4.1.0]heptan-5-one
CID 163419699

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
The IUPAC name of 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one (CID 14299935) is 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one.
What is the SMILES notation for 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
The canonical SMILES for 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one is O=C1COC(CO)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
The InChIKey is OCLOLUFOLJIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2.
What are the key properties of 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one?
4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one has a molecular weight of 162.14 g/mol, XLogP of -2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one is sourced from PubChem (CID 14299935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).