potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate

C24H43KO6 — CID 140550032

IUPACpotassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
SMILESCCCCCCCCCCCCCCCCCCOC1=C([O-])[C@@H]([C@@H](O)CO)OC1=O.[K+]
InChIInChI=1S/C24H44O6.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28;/h20,22,25-27H,2-19H2,1H3;/q;+1/p-1/t20-,22+;/m0./s1
InChIKeyPLZQNGGHYSXBBL-IKGOIYPNSA-M
MW466.70 g/mol
LogP1.12
Rot. Bonds20

About potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate

potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate (PubChem CID 140550032) has the molecular formula C24H43KO6 and a molecular weight of 466.70 g/mol. Its IUPAC name is potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate.

Molecular Properties

Compound Namepotassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
PubChem CID140550032
Molecular FormulaC24H43KO6
Molecular Weight466.70 g/mol
Exact Mass466.27
IUPAC Namepotassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
SMILESCCCCCCCCCCCCCCCCCCOC1=C([O-])[C@@H]([C@@H](O)CO)OC1=O.[K+]
InChIInChI=1S/C24H44O6.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28;/h20,22,25-27H,2-19H2,1H3;/q;+1/p-1/t20-,22+;/m0./s1
InChIKeyPLZQNGGHYSXBBL-IKGOIYPNSA-M
XLogP1.12
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.70
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-decoxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
CID 68591726
2-(1,2-dihydroxyethyl)-3-hydroxy-4-undecoxy-2H-furan-5-one
CID 54726558
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hexoxy-3-hydroxy-2H-furan-5-one
CID 68591424
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-nonadecoxy-2H-furan-5-one
CID 68590112
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one
CID 68591015
(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-3-octadecoxy-2H-furan-5-one
CID 14016241
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-heptadecoxy-4-hydroxy-2H-furan-5-one
CID 18600174
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-docosoxy-4-hydroxy-2H-furan-5-one
CID 24953738
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2,3-dihydroxypropoxy)-4-heptoxy-2H-furan-5-one
CID 140562720
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,3-dihydroxypropoxy]-3-octoxy-2H-furan-5-one
CID 171063088
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxy-3-octoxypropoxy)-4-octoxy-2H-furan-5-one
CID 67267014
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
CID 54740315

Frequently Asked Questions

What is the IUPAC name of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate?
The IUPAC name of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate (CID 140550032) is potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate.
What is the SMILES notation for potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate?
The canonical SMILES for potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate is CCCCCCCCCCCCCCCCCCOC1=C([O-])[C@@H]([C@@H](O)CO)OC1=O.[K+].
What is the InChIKey of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate?
The InChIKey is PLZQNGGHYSXBBL-IKGOIYPNSA-M. The full InChI is InChI=1S/C24H44O6.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28;/h20,22,25-27H,2-19H2,1H3;/q;+1/p-1/t20-,22+;/m0./s1.
What are the key properties of potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate?
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate has a molecular weight of 466.70 g/mol, XLogP of 1.12, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate is sourced from PubChem (CID 140550032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).