4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate

C14H8O8-2 — CID 54750826

IUPAC4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
SMILESO=C(O)c1cc(O)c([O-])c(-c2cc(C(=O)O)cc(O)c2[O-])c1
InChIInChI=1S/C14H10O8/c15-9-3-5(13(19)20)1-7(11(9)17)8-2-6(14(21)22)4-10(16)12(8)18/h1-4,15-18H,(H,19,20)(H,21,22)/p-2
InChIKeyAAZQLEYYOHJSIJ-UHFFFAOYSA-L
MW304.21 g/mol
LogP0.31
Rot. Bonds3

About 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate

4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate (PubChem CID 54750826) has the molecular formula C14H8O8-2 and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate.

Molecular Properties

Compound Name4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
PubChem CID54750826
Molecular FormulaC14H8O8-2
Molecular Weight304.21 g/mol
Exact Mass304.02
IUPAC Name4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
SMILESO=C(O)c1cc(O)c([O-])c(-c2cc(C(=O)O)cc(O)c2[O-])c1
InChIInChI=1S/C14H10O8/c15-9-3-5(13(19)20)1-7(11(9)17)8-2-6(14(21)22)4-10(16)12(8)18/h1-4,15-18H,(H,19,20)(H,21,22)/p-2
InChIKeyAAZQLEYYOHJSIJ-UHFFFAOYSA-L
XLogP0.31
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
CID 175913194
bismuth 4-carboxy-2,6-dihydroxyphenolate
CID 54698176
trisodium;tris(4-carboxy-2,6-dihydroxyphenolate)
CID 139835133
hexakis(4-carboxy-2,6-dihydroxyphenolate);gadolinium(3+);scandium(3+)
CID 173410095
bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
CID 175210164
bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
CID 54682471
4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride
CID 174633129
4-carboxy-2,6-dihydroxyphenolate;tetraethylazanium
CID 54723196
3,4,5-trihydroxybenzoic acid
CID 370
lithium 5-carboxy-2,3-dihydroxyphenolate
CID 102269214
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silane;3,4,5-trihydroxybenzoic acid
CID 174840630

Frequently Asked Questions

What is the IUPAC name of 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate?
The IUPAC name of 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate (CID 54750826) is 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate.
What is the SMILES notation for 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate?
The canonical SMILES for 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate is O=C(O)c1cc(O)c([O-])c(-c2cc(C(=O)O)cc(O)c2[O-])c1.
What is the InChIKey of 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate?
The InChIKey is AAZQLEYYOHJSIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10O8/c15-9-3-5(13(19)20)1-7(11(9)17)8-2-6(14(21)22)4-10(16)12(8)18/h1-4,15-18H,(H,19,20)(H,21,22)/p-2.
What are the key properties of 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate?
4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate has a molecular weight of 304.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate is sourced from PubChem (CID 54750826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).