[(1R)-1-phosphonatohexyl]azanium

C6H15NO3P- — CID 7021159

IUPAC[(1R)-1-phosphonatohexyl]azanium
SMILESCCCCC[C@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C6H16NO3P/c1-2-3-4-5-6(7)11(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)/p-1/t6-/m1/s1
InChIKeyODMTWOKJHVPSLP-ZCFIWIBFSA-M
MW180.16 g/mol
LogP-0.95
Rot. Bonds5

About [(1R)-1-phosphonatohexyl]azanium

[(1R)-1-phosphonatohexyl]azanium (PubChem CID 7021159) has the molecular formula C6H15NO3P- and a molecular weight of 180.16 g/mol. Its IUPAC name is [(1R)-1-phosphonatohexyl]azanium.

Molecular Properties

Compound Name[(1R)-1-phosphonatohexyl]azanium
PubChem CID7021159
Molecular FormulaC6H15NO3P-
Molecular Weight180.16 g/mol
Exact Mass180.08
IUPAC Name[(1R)-1-phosphonatohexyl]azanium
SMILESCCCCC[C@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C6H16NO3P/c1-2-3-4-5-6(7)11(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)/p-1/t6-/m1/s1
InChIKeyODMTWOKJHVPSLP-ZCFIWIBFSA-M
XLogP-0.95
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(1R)-1-phosphonatobutyl]azanium
CID 7167663
tripotassium;2-hexyldecan-1-ol;phosphate
CID 175022453
tris(tris(decan-3-yl)azanium);phosphate
CID 23469336
henicosan-11-ylazanium
CID 22645794
heptatriacontan-19-ylazanium
CID 22345110
[(2S)-heptan-2-yl]azanium
CID 6999049
disodium;octan-3-yl phosphate
CID 87948378
trisodium;7-(2-hexyldecoxymethyl)pentadecane;phosphate
CID 172746408
nonadecan-2-yl phosphate
CID 21219886
dipotassium;tridecan-2-yl phosphate
CID 139671549
propyl phosphate;bis(tetrahexylphosphanium)
CID 87474397
dioctan-2-yl phosphate;iron(2+)
CID 157379729

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phosphonatohexyl]azanium?
The IUPAC name of [(1R)-1-phosphonatohexyl]azanium (CID 7021159) is [(1R)-1-phosphonatohexyl]azanium.
What is the SMILES notation for [(1R)-1-phosphonatohexyl]azanium?
The canonical SMILES for [(1R)-1-phosphonatohexyl]azanium is CCCCC[C@H]([NH3+])P(=O)([O-])[O-].
What is the InChIKey of [(1R)-1-phosphonatohexyl]azanium?
The InChIKey is ODMTWOKJHVPSLP-ZCFIWIBFSA-M. The full InChI is InChI=1S/C6H16NO3P/c1-2-3-4-5-6(7)11(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)/p-1/t6-/m1/s1.
What are the key properties of [(1R)-1-phosphonatohexyl]azanium?
[(1R)-1-phosphonatohexyl]azanium has a molecular weight of 180.16 g/mol, XLogP of -0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phosphonatohexyl]azanium is sourced from PubChem (CID 7021159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).