potassium;sodium;2-aminopentanedioate;phosphoric acid

C5H10KNNaO8P — CID 175101729

IUPACpotassium;sodium;2-aminopentanedioate;phosphoric acid
SMILESNC(CCC(=O)[O-])C(=O)[O-].O=P(O)(O)O.[K+].[Na+]
InChIInChI=1S/C5H9NO4.K.Na.H3O4P/c6-3(5(9)10)1-2-4(7)8;;;1-5(2,3)4/h3H,1-2,6H2,(H,7,8)(H,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyPFWWNCADLQZMRZ-UHFFFAOYSA-L
MW305.20 g/mol
LogP-10.33
Rot. Bonds4

About potassium;sodium;2-aminopentanedioate;phosphoric acid

potassium;sodium;2-aminopentanedioate;phosphoric acid (PubChem CID 175101729) has the molecular formula C5H10KNNaO8P and a molecular weight of 305.20 g/mol. Its IUPAC name is potassium;sodium;2-aminopentanedioate;phosphoric acid.

Molecular Properties

Compound Namepotassium;sodium;2-aminopentanedioate;phosphoric acid
PubChem CID175101729
Molecular FormulaC5H10KNNaO8P
Molecular Weight305.20 g/mol
Exact Mass304.97
IUPAC Namepotassium;sodium;2-aminopentanedioate;phosphoric acid
SMILESNC(CCC(=O)[O-])C(=O)[O-].O=P(O)(O)O.[K+].[Na+]
InChIInChI=1S/C5H9NO4.K.Na.H3O4P/c6-3(5(9)10)1-2-4(7)8;;;1-5(2,3)4/h3H,1-2,6H2,(H,7,8)(H,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyPFWWNCADLQZMRZ-UHFFFAOYSA-L
XLogP-10.33
TPSA184.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 5-10.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-aminopentanedioate;phosphoric acid?
The IUPAC name of potassium;sodium;2-aminopentanedioate;phosphoric acid (CID 175101729) is potassium;sodium;2-aminopentanedioate;phosphoric acid.
What is the SMILES notation for potassium;sodium;2-aminopentanedioate;phosphoric acid?
The canonical SMILES for potassium;sodium;2-aminopentanedioate;phosphoric acid is NC(CCC(=O)[O-])C(=O)[O-].O=P(O)(O)O.[K+].[Na+].
What is the InChIKey of potassium;sodium;2-aminopentanedioate;phosphoric acid?
The InChIKey is PFWWNCADLQZMRZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H9NO4.K.Na.H3O4P/c6-3(5(9)10)1-2-4(7)8;;;1-5(2,3)4/h3H,1-2,6H2,(H,7,8)(H,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of potassium;sodium;2-aminopentanedioate;phosphoric acid?
potassium;sodium;2-aminopentanedioate;phosphoric acid has a molecular weight of 305.20 g/mol, XLogP of -10.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-aminopentanedioate;phosphoric acid is sourced from PubChem (CID 175101729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).