potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid

C6H18KN2O6P — CID 173459851

IUPACpotassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
SMILESNCCCCC(N)C(=O)O.O=P(O)(O)O.[H-].[K+]
InChIInChI=1S/C6H14N2O2.K.H3O4P.H/c7-4-2-1-3-5(8)6(9)10;;1-5(2,3)4;/h5H,1-4,7-8H2,(H,9,10);;(H3,1,2,3,4);/q;+1;;-1
InChIKeyGVMQILOXICFELH-UHFFFAOYSA-N
MW284.29 g/mol
LogP-4.28
Rot. Bonds5

About potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid

potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid (PubChem CID 173459851) has the molecular formula C6H18KN2O6P and a molecular weight of 284.29 g/mol. Its IUPAC name is potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid.

Molecular Properties

Compound Namepotassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
PubChem CID173459851
Molecular FormulaC6H18KN2O6P
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Namepotassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
SMILESNCCCCC(N)C(=O)O.O=P(O)(O)O.[H-].[K+]
InChIInChI=1S/C6H14N2O2.K.H3O4P.H/c7-4-2-1-3-5(8)6(9)10;;1-5(2,3)4;/h5H,1-4,7-8H2,(H,9,10);;(H3,1,2,3,4);/q;+1;;-1
InChIKeyGVMQILOXICFELH-UHFFFAOYSA-N
XLogP-4.28
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.29
LogP ≤ 5-4.28
H-Bond Donors ≤ 56
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

potassium;(2S)-2,6-diaminohexanoic acid;hydride
CID 173031360
(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid
CID 88815315
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084

Frequently Asked Questions

What is the IUPAC name of potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid?
The IUPAC name of potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid (CID 173459851) is potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid.
What is the SMILES notation for potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid?
The canonical SMILES for potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid is NCCCCC(N)C(=O)O.O=P(O)(O)O.[H-].[K+].
What is the InChIKey of potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid?
The InChIKey is GVMQILOXICFELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.K.H3O4P.H/c7-4-2-1-3-5(8)6(9)10;;1-5(2,3)4;/h5H,1-4,7-8H2,(H,9,10);;(H3,1,2,3,4);/q;+1;;-1.
What are the key properties of potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid?
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid has a molecular weight of 284.29 g/mol, XLogP of -4.28, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid is sourced from PubChem (CID 173459851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).