hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid

C10H34K6N2O24P8 — CID 53487814

IUPAChexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid
SMILESNCCCCCCN.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O.O=P([O-])([O-])CP(=O)(O)O.O=P([O-])([O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C6H16N2.4CH6O6P2.6K/c7-5-3-1-2-4-6-8;4*2-8(3,4)1-9(5,6)7;;;;;;/h1-8H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;;;;;/q;;;;;6*+1/p-6
InChIKeyISXUKUQUHWDPNP-UHFFFAOYSA-H
MW1048.75 g/mol
LogP-24.11
Rot. Bonds13

About hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid

hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid (PubChem CID 53487814) has the molecular formula C10H34K6N2O24P8 and a molecular weight of 1048.75 g/mol. Its IUPAC name is hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid.

Molecular Properties

Compound Namehexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid
PubChem CID53487814
Molecular FormulaC10H34K6N2O24P8
Molecular Weight1048.75 g/mol
Exact Mass1047.72
IUPAC Namehexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid
SMILESNCCCCCCN.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O.O=P([O-])([O-])CP(=O)(O)O.O=P([O-])([O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C6H16N2.4CH6O6P2.6K/c7-5-3-1-2-4-6-8;4*2-8(3,4)1-9(5,6)7;;;;;;/h1-8H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;;;;;/q;;;;;6*+1/p-6
InChIKeyISXUKUQUHWDPNP-UHFFFAOYSA-H
XLogP-24.11
TPSA529.26 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.75
LogP ≤ 5-24.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid with MolForge

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Related Compounds

pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
phosphonatomethylphosphonic acid
CID 136758999
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
N'-(3-aminopropyl)propane-1,3-diamine;phosphonomethylphosphonic acid
CID 18373608
hexadecasodium;tetrakis(dioxido-oxo-(phosphonatomethyl)-λ5-phosphane);ethane-1,2-diamine
CID 173054187
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
CID 162139470
CID 162139470
azane;phosphonomethylphosphonic acid
CID 18674565
phosphonomethylphosphonic acid;phosphoric acid
CID 174390883
tris(hexadecan-1-amine);phosphoric acid
CID 173300602
tricalcium;octadecan-1-amine;diphosphate
CID 174663264

Frequently Asked Questions

What is the IUPAC name of hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid?
The IUPAC name of hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid (CID 53487814) is hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid.
What is the SMILES notation for hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid?
The canonical SMILES for hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid is NCCCCCCN.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O.O=P([O-])([O-])CP(=O)(O)O.O=P([O-])([O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid?
The InChIKey is ISXUKUQUHWDPNP-UHFFFAOYSA-H. The full InChI is InChI=1S/C6H16N2.4CH6O6P2.6K/c7-5-3-1-2-4-6-8;4*2-8(3,4)1-9(5,6)7;;;;;;/h1-8H2;4*1H2,(H2,2,3,4)(H2,5,6,7);;;;;;/q;;;;;6*+1/p-6.
What are the key properties of hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid?
hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid has a molecular weight of 1048.75 g/mol, XLogP of -24.11, 13 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane;hexane-1,6-diamine;phosphonatomethylphosphonic acid;phosphonomethylphosphonic acid is sourced from PubChem (CID 53487814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).