2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid

C7H6O7 — CID 174736301

IUPAC2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid
SMILESCOC(=O)c1oc(O)c(C(=O)O)c1O
InChIInChI=1S/C7H6O7/c1-13-7(12)4-3(8)2(5(9)10)6(11)14-4/h8,11H,1H3,(H,9,10)
InChIKeyOEWVOPJGLRKILL-UHFFFAOYSA-N
MW202.12 g/mol
LogP0.18
Rot. Bonds2

About 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid

2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid (PubChem CID 174736301) has the molecular formula C7H6O7 and a molecular weight of 202.12 g/mol. Its IUPAC name is 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid
PubChem CID174736301
Molecular FormulaC7H6O7
Molecular Weight202.12 g/mol
Exact Mass202.01
IUPAC Name2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid
SMILESCOC(=O)c1oc(O)c(C(=O)O)c1O
InChIInChI=1S/C7H6O7/c1-13-7(12)4-3(8)2(5(9)10)6(11)14-4/h8,11H,1H3,(H,9,10)
InChIKeyOEWVOPJGLRKILL-UHFFFAOYSA-N
XLogP0.18
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid?
The IUPAC name of 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid (CID 174736301) is 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid.
What is the SMILES notation for 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid?
The canonical SMILES for 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid is COC(=O)c1oc(O)c(C(=O)O)c1O.
What is the InChIKey of 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid?
The InChIKey is OEWVOPJGLRKILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O7/c1-13-7(12)4-3(8)2(5(9)10)6(11)14-4/h8,11H,1H3,(H,9,10).
What are the key properties of 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid?
2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid has a molecular weight of 202.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid is sourced from PubChem (CID 174736301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).