3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid

C7H8O7 — CID 54719626

IUPAC3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C7H8O7/c8-2(1-3(9)10)6-4(11)5(12)7(13)14-6/h2,6,8,11-12H,1H2,(H,9,10)
InChIKeyWBEMBUASQNGGEQ-UHFFFAOYSA-N
MW204.13 g/mol
LogP-0.93
Rot. Bonds3

About 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid

3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid (PubChem CID 54719626) has the molecular formula C7H8O7 and a molecular weight of 204.13 g/mol. Its IUPAC name is 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid
PubChem CID54719626
Molecular FormulaC7H8O7
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C7H8O7/c8-2(1-3(9)10)6-4(11)5(12)7(13)14-6/h2,6,8,11-12H,1H2,(H,9,10)
InChIKeyWBEMBUASQNGGEQ-UHFFFAOYSA-N
XLogP-0.93
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid (CID 54719626) is 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid is O=C(O)CC(O)C1OC(=O)C(O)=C1O.
What is the InChIKey of 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid?
The InChIKey is WBEMBUASQNGGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O7/c8-2(1-3(9)10)6-4(11)5(12)7(13)14-6/h2,6,8,11-12H,1H2,(H,9,10).
What are the key properties of 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid?
3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid has a molecular weight of 204.13 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 54719626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).