copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid

C12H14Cu2O9P+ — CID 174902906

IUPACcopper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=[P+](O)c1ccccc1.[Cu].[Cu]
InChIInChI=1S/C6H8O7.C6H5O2P.2Cu/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-9(8)6-4-2-1-3-5-6;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-5H;;/p+1
InChIKeyYLMWGIYPRVOGSK-UHFFFAOYSA-O
MW460.30 g/mol
LogP-0.21
Rot. Bonds6

About copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid

copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 174902906) has the molecular formula C12H14Cu2O9P+ and a molecular weight of 460.30 g/mol. Its IUPAC name is copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namecopper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID174902906
Molecular FormulaC12H14Cu2O9P+
Molecular Weight460.30 g/mol
Exact Mass458.90
IUPAC Namecopper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=[P+](O)c1ccccc1.[Cu].[Cu]
InChIInChI=1S/C6H8O7.C6H5O2P.2Cu/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-9(8)6-4-2-1-3-5-6;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-5H;;/p+1
InChIKeyYLMWGIYPRVOGSK-UHFFFAOYSA-O
XLogP-0.21
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 172800444
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
aniline;ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175048959
benzonitrile;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 161357104
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326

Frequently Asked Questions

What is the IUPAC name of copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 174902906) is copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=[P+](O)c1ccccc1.[Cu].[Cu].
What is the InChIKey of copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is YLMWGIYPRVOGSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8O7.C6H5O2P.2Cu/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-9(8)6-4-2-1-3-5-6;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-5H;;/p+1.
What are the key properties of copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid?
copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 460.30 g/mol, XLogP of -0.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 174902906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).