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

C6H10O5 — CID 131750927

IUPAC1-(2,3,4-trihydroxyoxolan-2-yl)ethanone
SMILESCC(=O)C1(O)OCC(O)C1O
InChIInChI=1S/C6H10O5/c1-3(7)6(10)5(9)4(8)2-11-6/h4-5,8-10H,2H2,1H3
InChIKeyDTUGXZBPWDHASD-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds1

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

1-(2,3,4-trihydroxyoxolan-2-yl)ethanone (PubChem CID 131750927) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4-trihydroxyoxolan-2-yl)ethanone
PubChem CID131750927
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1-(2,3,4-trihydroxyoxolan-2-yl)ethanone
SMILESCC(=O)C1(O)OCC(O)C1O
InChIInChI=1S/C6H10O5/c1-3(7)6(10)5(9)4(8)2-11-6/h4-5,8-10H,2H2,1H3
InChIKeyDTUGXZBPWDHASD-UHFFFAOYSA-N
XLogP-1.98
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 ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone?
The IUPAC name of 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone (CID 131750927) is 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone.
What is the SMILES notation for 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone?
The canonical SMILES for 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone is CC(=O)C1(O)OCC(O)C1O.
What is the InChIKey of 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone?
The InChIKey is DTUGXZBPWDHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-3(7)6(10)5(9)4(8)2-11-6/h4-5,8-10H,2H2,1H3.
What are the key properties of 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone?
1-(2,3,4-trihydroxyoxolan-2-yl)ethanone has a molecular weight of 162.14 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trihydroxyoxolan-2-yl)ethanone is sourced from PubChem (CID 131750927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).