5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid

C10H10O8 — CID 170824492

IUPAC5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(C(O)C(O)C(=O)O)c(O)cc1O
InChIInChI=1S/C10H10O8/c11-5-2-6(12)4(9(15)16)1-3(5)7(13)8(14)10(17)18/h1-2,7-8,11-14H,(H,15,16)(H,17,18)
InChIKeyKVSVJSYUEGBGSL-UHFFFAOYSA-N
MW258.18 g/mol
LogP-0.73
Rot. Bonds4

About 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid

5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid (PubChem CID 170824492) has the molecular formula C10H10O8 and a molecular weight of 258.18 g/mol. Its IUPAC name is 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid
PubChem CID170824492
Molecular FormulaC10H10O8
Molecular Weight258.18 g/mol
Exact Mass258.04
IUPAC Name5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(C(O)C(O)C(=O)O)c(O)cc1O
InChIInChI=1S/C10H10O8/c11-5-2-6(12)4(9(15)16)1-3(5)7(13)8(14)10(17)18/h1-2,7-8,11-14H,(H,15,16)(H,17,18)
InChIKeyKVSVJSYUEGBGSL-UHFFFAOYSA-N
XLogP-0.73
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-carboxy-1,2-dihydroxyethyl)-5-methylbenzoic acid
CID 170824270
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
5-(1-aminopropan-2-yl)-2,4-dihydroxybenzoic acid
CID 117301113
5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2,4-dihydroxybenzoic acid
CID 171856457
CID 172784976
CID 172784976
5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid
CID 170824217
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,4-dihydroxybenzoic acid
CID 170834708
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
4-(2-carboxy-1,2-dihydroxyethyl)-3-chlorobenzoic acid
CID 170824222
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
CID 171868523
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid?
The IUPAC name of 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid (CID 170824492) is 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid?
The canonical SMILES for 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid is O=C(O)c1cc(C(O)C(O)C(=O)O)c(O)cc1O.
What is the InChIKey of 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid?
The InChIKey is KVSVJSYUEGBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O8/c11-5-2-6(12)4(9(15)16)1-3(5)7(13)8(14)10(17)18/h1-2,7-8,11-14H,(H,15,16)(H,17,18).
What are the key properties of 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid?
5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid has a molecular weight of 258.18 g/mol, XLogP of -0.73, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxy-1,2-dihydroxyethyl)-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 170824492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).