1-(3,4,5-trihydroxyoxolan-2-yl)ethanone

C6H10O5 — CID 131863261

IUPAC1-(3,4,5-trihydroxyoxolan-2-yl)ethanone
SMILESCC(=O)C1OC(O)C(O)C1O
InChIInChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h3-6,8-10H,1H3
InChIKeyVTYZWSTWPSLGHX-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.99
Rot. Bonds1

About 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone

1-(3,4,5-trihydroxyoxolan-2-yl)ethanone (PubChem CID 131863261) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4,5-trihydroxyoxolan-2-yl)ethanone
PubChem CID131863261
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1-(3,4,5-trihydroxyoxolan-2-yl)ethanone
SMILESCC(=O)C1OC(O)C(O)C1O
InChIInChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h3-6,8-10H,1H3
InChIKeyVTYZWSTWPSLGHX-UHFFFAOYSA-N
XLogP-1.99
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 ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-2-methyl-2,4-dihydroxydihydrofuran-3-one
CID 44123557
2-dehydro-D-glucose
CID 439803
(2S,4S)-2-methyl-2,4-dihydroxydihydrofuran-3-one
CID 10240835
L-sorbosone furanose form
CID 25203461
GlyTouCan:G82169VM
CID 446683
2-dehydro-D-glucopyranose
CID 5459834
2-dehydro-D-galactopyranose
CID 12305989
Beta-D-Threo-Hexo-2,4-Diulo-2,5-Furanose
CID 44602370
(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 90671176
(2S,3S,4S,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 90671178
alpha-D-3-Ketogluco-1,4-furanose
CID 101139752
3-Deoxy-galactosone
CID 3513658

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone?
The IUPAC name of 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone (CID 131863261) is 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone.
What is the SMILES notation for 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone?
The canonical SMILES for 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone is CC(=O)C1OC(O)C(O)C1O.
What is the InChIKey of 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone?
The InChIKey is VTYZWSTWPSLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h3-6,8-10H,1H3.
What are the key properties of 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone?
1-(3,4,5-trihydroxyoxolan-2-yl)ethanone has a molecular weight of 162.14 g/mol, XLogP of -1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trihydroxyoxolan-2-yl)ethanone is sourced from PubChem (CID 131863261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).