2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane

C8H12O7 — CID 143597048

IUPAC2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane
SMILESCC.O=C1OC(C(O)C(=O)O)C(O)=C1O
InChIInChI=1S/C6H6O7.C2H6/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;1-2/h3-4,7-9H,(H,10,11);1-2H3
InChIKeyUBGYOOLCXGZWRJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.29
Rot. Bonds2

About 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane

2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane (PubChem CID 143597048) has the molecular formula C8H12O7 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane.

Molecular Properties

Compound Name2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane
PubChem CID143597048
Molecular FormulaC8H12O7
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane
SMILESCC.O=C1OC(C(O)C(=O)O)C(O)=C1O
InChIInChI=1S/C6H6O7.C2H6/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;1-2/h3-4,7-9H,(H,10,11);1-2H3
InChIKeyUBGYOOLCXGZWRJ-UHFFFAOYSA-N
XLogP-0.29
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane?
The IUPAC name of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane (CID 143597048) is 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane.
What is the SMILES notation for 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane?
The canonical SMILES for 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane is CC.O=C1OC(C(O)C(=O)O)C(O)=C1O.
What is the InChIKey of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane?
The InChIKey is UBGYOOLCXGZWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O7.C2H6/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;1-2/h3-4,7-9H,(H,10,11);1-2H3.
What are the key properties of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane?
2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane has a molecular weight of 220.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane is sourced from PubChem (CID 143597048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).