tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate

C8H18K3NO6P2 — CID 57356771

IUPACtripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate
SMILESCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])O.[K+].[K+].[K+]
InChIInChI=1S/C8H21NO6P2.3K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;/q;3*+1/p-3
InChIKeyWKNDOMMWXONICR-UHFFFAOYSA-K
MW403.48 g/mol
LogP-9.74
Rot. Bonds9

About tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate

tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate (PubChem CID 57356771) has the molecular formula C8H18K3NO6P2 and a molecular weight of 403.48 g/mol. Its IUPAC name is tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate.

Molecular Properties

Compound Nametripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate
PubChem CID57356771
Molecular FormulaC8H18K3NO6P2
Molecular Weight403.48 g/mol
Exact Mass402.95
IUPAC Nametripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate
SMILESCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])O.[K+].[K+].[K+]
InChIInChI=1S/C8H21NO6P2.3K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;/q;3*+1/p-3
InChIKeyWKNDOMMWXONICR-UHFFFAOYSA-K
XLogP-9.74
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 5-9.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

diazanium;N,N-bis(phosphonatomethyl)heptan-1-amine
CID 139595023
disodium;N,N-bis(phosphonatomethyl)octan-1-amine
CID 139594264
tetraazanium;N,N-bis(phosphonatomethyl)dodecan-1-amine
CID 56841330
pentaazanium;N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine
CID 139597643
tripotassium;[2-[bis(phosphonomethyl)amino]ethyl-(phosphonatomethyl)amino]methyl-hydroxyphosphinate
CID 170846888
azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid
CID 170846982
tetrakis(N,N-dioctyloctan-1-amine);phosphono dihydrogen phosphate
CID 173362239
potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
potassium 4-(dihexadecylamino)butanoate
CID 101313936
potassium 4-[di(undecyl)amino]butanoate
CID 101313863
potassium 6-[di(tricosyl)amino]hexanoate
CID 101314750
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759

Frequently Asked Questions

What is the IUPAC name of tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate?
The IUPAC name of tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate (CID 57356771) is tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate.
What is the SMILES notation for tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate?
The canonical SMILES for tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate is CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])O.[K+].[K+].[K+].
What is the InChIKey of tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate?
The InChIKey is WKNDOMMWXONICR-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H21NO6P2.3K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;;/q;3*+1/p-3.
What are the key properties of tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate?
tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate has a molecular weight of 403.48 g/mol, XLogP of -9.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate is sourced from PubChem (CID 57356771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).