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

C6H6O7 — CID 54712604

IUPAC2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid
SMILESO=C1OC(C(O)C(=O)O)C(O)=C1O
InChIInChI=1S/C6H6O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h3-4,7-9H,(H,10,11)
InChIKeyLMMOGBZPBLQFHK-UHFFFAOYSA-N
MW190.11 g/mol
LogP-1.32
Rot. Bonds2

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

2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid (PubChem CID 54712604) has the molecular formula C6H6O7 and a molecular weight of 190.11 g/mol. Its IUPAC name is 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid
PubChem CID54712604
Molecular FormulaC6H6O7
Molecular Weight190.11 g/mol
Exact Mass190.01
IUPAC Name2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid
SMILESO=C1OC(C(O)C(=O)O)C(O)=C1O
InChIInChI=1S/C6H6O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h3-4,7-9H,(H,10,11)
InChIKeyLMMOGBZPBLQFHK-UHFFFAOYSA-N
XLogP-1.32
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

L-Ascorbic Acid
CID 54670067
Sodium Ascorbate
CID 23667548
Erythorbic Acid
CID 54675810
D-erythro-hex-2-enonic acid, gamma-lactone
CID 54676860
Sodium Erythorbate
CID 23683938
Ascorbate
CID 54679076
D-Ascorbic acid
CID 54690394
3-O-Ethylascorbic acid
CID 150736
L-isoascorbic acid
CID 54676315
dehydro-D-arabinono-1,4-lactone
CID 54675775
Potassium ascorbate
CID 23687519
Npc119107
CID 54676536

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid (CID 54712604) is 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid is 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?
The InChIKey is LMMOGBZPBLQFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h3-4,7-9H,(H,10,11).
What are the key properties of 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid?
2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid has a molecular weight of 190.11 g/mol, XLogP of -1.32, 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 is sourced from PubChem (CID 54712604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).