2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one

C8H12O6 — CID 3614716

IUPAC2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
SMILESCCOC1=C(O)C(=O)OC1C(O)CO
InChIInChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3
InChIKeyZGSCRDSBTNQPMS-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.93
Rot. Bonds4

About 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one

2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one (PubChem CID 3614716) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
PubChem CID3614716
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one
SMILESCCOC1=C(O)C(=O)OC1C(O)CO
InChIInChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3
InChIKeyZGSCRDSBTNQPMS-UHFFFAOYSA-N
XLogP-0.93
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

L-Ascorbic Acid
CID 54670067
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
Calcium Ascorbate
CID 54740489
Sodium Erythorbate
CID 23683938
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Ascorbate
CID 54679076
Ferrous Ascorbate
CID 86763295
Magnesium Ascorbate
CID 54682511
Calcium ascorbate dihydrate
CID 54682536
Manganese ascorbate
CID 90479050
Zinc Ascorbate
CID 91667835

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one (CID 3614716) is 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one is CCOC1=C(O)C(=O)OC1C(O)CO.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one?
The InChIKey is ZGSCRDSBTNQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one has a molecular weight of 204.18 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-3-ethoxy-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 3614716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).