2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one

C7H10O6 — CID 86225797

IUPAC2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
SMILESCOC1=C(O)C(=O)C(C(O)CO)O1
InChIInChI=1S/C7H10O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3,6,8-9,11H,2H2,1H3
InChIKeyFCRRAMJOANGLHQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-1.32
Rot. Bonds3

About 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one

2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one (PubChem CID 86225797) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
PubChem CID86225797
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
SMILESCOC1=C(O)C(=O)C(C(O)CO)O1
InChIInChI=1S/C7H10O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3,6,8-9,11H,2H2,1H3
InChIKeyFCRRAMJOANGLHQ-UHFFFAOYSA-N
XLogP-1.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Semidehydroascorbic acid
CID 5476732
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
CID 90117374
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]-4-hydroxy-2H-furan-5-one
CID 66655329
CID 175868978
CID 175868978
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
CID 173003936
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
CID 23683938
(2R)-3-butoxy-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
CID 18600208

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one (CID 86225797) is 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one is COC1=C(O)C(=O)C(C(O)CO)O1.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
The InChIKey is FCRRAMJOANGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3,6,8-9,11H,2H2,1H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one?
2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one has a molecular weight of 190.15 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one is sourced from PubChem (CID 86225797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).