2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)

C15H15AlO6P2+2 — CID 174870395

IUPAC2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)
SMILESO=C(O)CC[Al+2].O=[P+]([O-])c1ccccc1.O=[P+]([O-])c1ccccc1
InChIInChI=1S/2C6H5O2P.C3H5O2.Al/c2*7-9(8)6-4-2-1-3-5-6;1-2-3(4)5;/h2*1-5H;1-2H2,(H,4,5);/q;;;+2
InChIKeySLGHJQYWXPUKBB-UHFFFAOYSA-N
MW380.21 g/mol
LogP0.88
Rot. Bonds4

About 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)

2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium) (PubChem CID 174870395) has the molecular formula C15H15AlO6P2+2 and a molecular weight of 380.21 g/mol. Its IUPAC name is 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium).

Molecular Properties

Compound Name2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)
PubChem CID174870395
Molecular FormulaC15H15AlO6P2+2
Molecular Weight380.21 g/mol
Exact Mass380.01
IUPAC Name2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)
SMILESO=C(O)CC[Al+2].O=[P+]([O-])c1ccccc1.O=[P+]([O-])c1ccccc1
InChIInChI=1S/2C6H5O2P.C3H5O2.Al/c2*7-9(8)6-4-2-1-3-5-6;1-2-3(4)5;/h2*1-5H;1-2H2,(H,4,5);/q;;;+2
InChIKeySLGHJQYWXPUKBB-UHFFFAOYSA-N
XLogP0.88
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

barium(2+);bis(oxido-oxo-phenylphosphanium)
CID 12822253
sodium oxido-oxo-phenylphosphanium
CID 6364990
2-carboxyethylaluminum(2+)
CID 174870396
[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium
CID 110190741
copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174902906
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
pentanedioic acid;phenol
CID 160999244
lanthanum;3-phenylpropanoic acid
CID 174887955
2-carboxyethyl-oxo-phenoxyphosphanium;zinc
CID 174937996
3-hydroxypropanoyloxy-oxo-phenylphosphanium
CID 175482625
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
pentanedioic acid;toluene
CID 159822689

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)?
The IUPAC name of 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium) (CID 174870395) is 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium).
What is the SMILES notation for 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)?
The canonical SMILES for 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium) is O=C(O)CC[Al+2].O=[P+]([O-])c1ccccc1.O=[P+]([O-])c1ccccc1.
What is the InChIKey of 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)?
The InChIKey is SLGHJQYWXPUKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5O2P.C3H5O2.Al/c2*7-9(8)6-4-2-1-3-5-6;1-2-3(4)5;/h2*1-5H;1-2H2,(H,4,5);/q;;;+2.
What are the key properties of 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)?
2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium) has a molecular weight of 380.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium) is sourced from PubChem (CID 174870395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).