AN 12

C21H43NO5P — CID 3035926

IUPAC—
SMILESCCCCCCCCCCCCOP(=O)(O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C21H43NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-26-28(24,25)27-19-17-20(2,3)22(23)21(4,5)18-19/h19H,6-18H2,1-5H3,(H,24,25)
InChIKeyVNPFSLNALGAUGL-UHFFFAOYSA-N
MW420.55 g/mol
LogP6.41
Rot. Bonds14

About AN 12

AN 12 (PubChem CID 3035926) has the molecular formula C21H43NO5P and a molecular weight of 420.55 g/mol.

Molecular Properties

Compound NameAN 12
PubChem CID3035926
Molecular FormulaC21H43NO5P
Molecular Weight420.55 g/mol
Exact Mass420.29
IUPAC Name—
SMILESCCCCCCCCCCCCOP(=O)(O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C21H43NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-26-28(24,25)27-19-17-20(2,3)22(23)21(4,5)18-19/h19H,6-18H2,1-5H3,(H,24,25)
InChIKeyVNPFSLNALGAUGL-UHFFFAOYSA-N
XLogP6.41
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Ethoxyfluorophosphinyloxy)-TEMPO
CID 71310009
4-[(Ethoxyflorophosphinyl)oxy]-2,2,6,6,-tetramethyl-1-piperidine-1-oxyl
CID 5207310
1-Hydroxy-4-phosphono-oxy-2,2,6,6-tetramethyl-piperidine
CID 4550871
1-Methoxy-2,2,6,6-tetramethyl piperidin-4-yl methyl phosphate
CID 71297215
4-Dichlorophosphoryloxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 429278
4-Phosphonooxy-tempo hydrate
CID 16211714
1-Hydroxy-4-phosphono-oxy-2,2,6,6-tetramethyl-piperidine hydrochloride
CID 132278252
4-[Ethoxy(fluoro)phosphoryl]oxy-2,2,6,6-tetramethyl-1-oxidopiperidine
CID 45039166
4-[Ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 95858589
4-[Ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 95858590
4-[Fluoro(methoxy)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 96365347
4-[Fluoro(methoxy)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 96365348

Frequently Asked Questions

What is the IUPAC name of AN 12?
The IUPAC name of AN 12 (CID 3035926) is not available.
What is the SMILES notation for AN 12?
The canonical SMILES for AN 12 is CCCCCCCCCCCCOP(=O)(O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of AN 12?
The InChIKey is VNPFSLNALGAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-26-28(24,25)27-19-17-20(2,3)22(23)21(4,5)18-19/h19H,6-18H2,1-5H3,(H,24,25).
What are the key properties of AN 12?
AN 12 has a molecular weight of 420.55 g/mol, XLogP of 6.41, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for AN 12 is sourced from PubChem (CID 3035926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).