19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid

C23H44O7 — CID 87356581

IUPAC19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid
SMILESO=C(O)CCCCCCCCCC(CCCCCCCC(O)CO)C(=O)OCCO
InChIInChI=1S/C23H44O7/c24-17-18-30-23(29)20(14-10-6-4-7-11-15-21(26)19-25)13-9-5-2-1-3-8-12-16-22(27)28/h20-21,24-26H,1-19H2,(H,27,28)
InChIKeyGOBRNFWZWHHTGD-UHFFFAOYSA-N
MW432.60 g/mol
LogP3.82
Rot. Bonds22

About 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid

19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid (PubChem CID 87356581) has the molecular formula C23H44O7 and a molecular weight of 432.60 g/mol. Its IUPAC name is 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid.

Molecular Properties

Compound Name19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid
PubChem CID87356581
Molecular FormulaC23H44O7
Molecular Weight432.60 g/mol
Exact Mass432.31
IUPAC Name19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid
SMILESO=C(O)CCCCCCCCCC(CCCCCCCC(O)CO)C(=O)OCCO
InChIInChI=1S/C23H44O7/c24-17-18-30-23(29)20(14-10-6-4-7-11-15-21(26)19-25)13-9-5-2-1-3-8-12-16-22(27)28/h20-21,24-26H,1-19H2,(H,27,28)
InChIKeyGOBRNFWZWHHTGD-UHFFFAOYSA-N
XLogP3.82
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

18,19-dihydroxynonadecanoic acid
CID 87167042
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
decane-1,2-diol;decanoic acid
CID 174865520
11-octoxycarbonylheptadecanoic acid
CID 22496673
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
2-(2,3-dihydroxypropyl)icosanedioic acid
CID 175059553
2-(2,3-dihydroxypropyl)tetradecanedioic acid
CID 175059920
20,21-dihydroxyhenicosa-9,12-dienoic acid
CID 158956400
decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
hexanedioic acid;hexane-1,1,5,6-tetrol
CID 19990329
6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
CID 87377073

Frequently Asked Questions

What is the IUPAC name of 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid?
The IUPAC name of 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid (CID 87356581) is 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid.
What is the SMILES notation for 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid?
The canonical SMILES for 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid is O=C(O)CCCCCCCCCC(CCCCCCCC(O)CO)C(=O)OCCO.
What is the InChIKey of 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid?
The InChIKey is GOBRNFWZWHHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O7/c24-17-18-30-23(29)20(14-10-6-4-7-11-15-21(26)19-25)13-9-5-2-1-3-8-12-16-22(27)28/h20-21,24-26H,1-19H2,(H,27,28).
What are the key properties of 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid?
19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid has a molecular weight of 432.60 g/mol, XLogP of 3.82, 22 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19,20-dihydroxy-11-(2-hydroxyethoxycarbonyl)icosanoic acid is sourced from PubChem (CID 87356581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).