potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane

C6H10KO7P — CID 172750704

IUPACpotassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)[O-].P.[K+]
InChIInChI=1S/C6H8O7.K.H3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+1;/p-1
InChIKeyKIFMEJBJYYXGPI-UHFFFAOYSA-M
MW264.21 g/mol
LogP-5.52
Rot. Bonds5

About potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane

potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane (PubChem CID 172750704) has the molecular formula C6H10KO7P and a molecular weight of 264.21 g/mol. Its IUPAC name is potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane.

Molecular Properties

Compound Namepotassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane
PubChem CID172750704
Molecular FormulaC6H10KO7P
Molecular Weight264.21 g/mol
Exact Mass263.98
IUPAC Namepotassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)[O-].P.[K+]
InChIInChI=1S/C6H8O7.K.H3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+1;/p-1
InChIKeyKIFMEJBJYYXGPI-UHFFFAOYSA-M
XLogP-5.52
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 5-5.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

copper bis(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate)
CID 159582063
tris(2-(carboxymethyl)-2-hydroxybutanedioate);bis(iron(3+))
CID 173170506
potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate
CID 174712440
magnesium 2-(carboxymethyl)-2-hydroxybutanedioate
CID 91886505
aluminum;azane;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-(carboxymethyl)-2-hydroxybutanedioate
CID 173284273
sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)
CID 139596389
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid;titanium(4+)
CID 158572347
trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173326194
potassium;sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2,3,4-trihydroxy-4-oxobutanoate
CID 174420793
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropane-1,2,3-tricarboxylic acid);trihydrate
CID 173324118
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;tetrakis(prop-2-enyl)azanium
CID 173148456
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307

Frequently Asked Questions

What is the IUPAC name of potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane?
The IUPAC name of potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane (CID 172750704) is potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane.
What is the SMILES notation for potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane?
The canonical SMILES for potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane is O=C(O)CC(O)(CC(=O)O)C(=O)[O-].P.[K+].
What is the InChIKey of potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane?
The InChIKey is KIFMEJBJYYXGPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O7.K.H3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+1;/p-1.
What are the key properties of potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane?
potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane has a molecular weight of 264.21 g/mol, XLogP of -5.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane is sourced from PubChem (CID 172750704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).