potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate

C6H17KN2O9P2 — CID 88835534

IUPACpotassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate
SMILESNCCCCC(N)C(=O)O.O=P([O-])(O)OP(=O)(O)O.[K+]
InChIInChI=1S/C6H14N2O2.K.H4O7P2/c7-4-2-1-3-5(8)6(9)10;;1-8(2,3)7-9(4,5)6/h5H,1-4,7-8H2,(H,9,10);;(H2,1,2,3)(H2,4,5,6)/q;+1;/p-1
InChIKeyTVVJIPCLVNURNP-UHFFFAOYSA-M
MW362.25 g/mol
LogP-4.91
Rot. Bonds7

About potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate

potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate (PubChem CID 88835534) has the molecular formula C6H17KN2O9P2 and a molecular weight of 362.25 g/mol. Its IUPAC name is potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate.

Molecular Properties

Compound Namepotassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate
PubChem CID88835534
Molecular FormulaC6H17KN2O9P2
Molecular Weight362.25 g/mol
Exact Mass362.00
IUPAC Namepotassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate
SMILESNCCCCC(N)C(=O)O.O=P([O-])(O)OP(=O)(O)O.[K+]
InChIInChI=1S/C6H14N2O2.K.H4O7P2/c7-4-2-1-3-5(8)6(9)10;;1-8(2,3)7-9(4,5)6/h5H,1-4,7-8H2,(H,9,10);;(H2,1,2,3)(H2,4,5,6)/q;+1;/p-1
InChIKeyTVVJIPCLVNURNP-UHFFFAOYSA-M
XLogP-4.91
TPSA216.46 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.25
LogP ≤ 5-4.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851
potassium;(2S)-2,6-diaminohexanoic acid;hydride
CID 173031360
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
(2S)-2,6-diaminohexanoic acid;fluorophosphonic acid;phosphoric acid
CID 88815315
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
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
2,6-diaminohexanoic acid;titanium
CID 174642581
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709

Frequently Asked Questions

What is the IUPAC name of potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate?
The IUPAC name of potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate (CID 88835534) is potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate.
What is the SMILES notation for potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate?
The canonical SMILES for potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate is NCCCCC(N)C(=O)O.O=P([O-])(O)OP(=O)(O)O.[K+].
What is the InChIKey of potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate?
The InChIKey is TVVJIPCLVNURNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O2.K.H4O7P2/c7-4-2-1-3-5(8)6(9)10;;1-8(2,3)7-9(4,5)6/h5H,1-4,7-8H2,(H,9,10);;(H2,1,2,3)(H2,4,5,6)/q;+1;/p-1.
What are the key properties of potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate?
potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate has a molecular weight of 362.25 g/mol, XLogP of -4.91, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate is sourced from PubChem (CID 88835534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).