5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid

C8H6O7 — CID 3010942

IUPAC5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid
SMILESCOC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C8H6O7/c1-14-8(13)6-5(10)3(9)2-4(15-6)7(11)12/h2,10H,1H3,(H,11,12)
InChIKeyUTGAHNRTEAZJDZ-UHFFFAOYSA-N
MW214.13 g/mol
LogP-0.17
Rot. Bonds2

About 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid

5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid (PubChem CID 3010942) has the molecular formula C8H6O7 and a molecular weight of 214.13 g/mol. Its IUPAC name is 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid
PubChem CID3010942
Molecular FormulaC8H6O7
Molecular Weight214.13 g/mol
Exact Mass214.01
IUPAC Name5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid
SMILESCOC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C8H6O7/c1-14-8(13)6-5(10)3(9)2-4(15-6)7(11)12/h2,10H,1H3,(H,11,12)
InChIKeyUTGAHNRTEAZJDZ-UHFFFAOYSA-N
XLogP-0.17
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid?
The IUPAC name of 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid (CID 3010942) is 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid is COC(=O)c1oc(C(=O)O)cc(=O)c1O.
What is the InChIKey of 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid?
The InChIKey is UTGAHNRTEAZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O7/c1-14-8(13)6-5(10)3(9)2-4(15-6)7(11)12/h2,10H,1H3,(H,11,12).
What are the key properties of 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid?
5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid has a molecular weight of 214.13 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxycarbonyl-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 3010942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).