potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride

C23H47KNNaO4 — CID 175396925

IUPACpotassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CC[C@H](N)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C23H45NO4.K.Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-22(25)19-18-21(24)23(26)27;;;;/h21H,2-20,24H2,1H3,(H,26,27);;;;/q;2*+1;2*-1/t21-;;;;/m0..../s1
InChIKeyPSOLSKCUMZLVGU-WUDICJIASA-N
MW463.72 g/mol
LogP0.22
Rot. Bonds21

About potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride

potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride (PubChem CID 175396925) has the molecular formula C23H47KNNaO4 and a molecular weight of 463.72 g/mol. Its IUPAC name is potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
PubChem CID175396925
Molecular FormulaC23H47KNNaO4
Molecular Weight463.72 g/mol
Exact Mass463.30
IUPAC Namepotassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CC[C@H](N)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C23H45NO4.K.Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-22(25)19-18-21(24)23(26)27;;;;/h21H,2-20,24H2,1H3,(H,26,27);;;;/q;2*+1;2*-1/t21-;;;;/m0..../s1
InChIKeyPSOLSKCUMZLVGU-WUDICJIASA-N
XLogP0.22
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.72
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
CID 175019891
sodium;(2S)-2-amino-5-hexadecoxy-5-oxopentanoic acid;hydride
CID 175297961
(2R)-2-amino-5-octoxy-5-oxopentanoic acid
CID 98550174
heptyl 4-amino-5-oxohexanoate
CID 145221030
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
(2S)-2,6-diaminohexanoic acid;didodecyl (2S)-2-aminopentanedioate
CID 172797569
dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
potassium (2S)-2-amino-5-octadecoxy-5-oxopentanoate
CID 174758136
dipentyl (2S)-2-aminopentanedioate;hydrochloride
CID 139951057
sodium;(2S)-2-amino-5-dodecanoyloxy-5-oxopentanoic acid;hydride;hydrochloride
CID 175545509

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride?
The IUPAC name of potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride (CID 175396925) is potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride.
What is the SMILES notation for potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride?
The canonical SMILES for potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride is CCCCCCCCCCCCCCCCCCOC(=O)CC[C@H](N)C(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride?
The InChIKey is PSOLSKCUMZLVGU-WUDICJIASA-N. The full InChI is InChI=1S/C23H45NO4.K.Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-22(25)19-18-21(24)23(26)27;;;;/h21H,2-20,24H2,1H3,(H,26,27);;;;/q;2*+1;2*-1/t21-;;;;/m0..../s1.
What are the key properties of potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride?
potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride has a molecular weight of 463.72 g/mol, XLogP of 0.22, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride is sourced from PubChem (CID 175396925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).