aluminum;2-hydroxypropanoic acid;phosphate

C3H6AlO7P — CID 172753326

IUPACaluminum;2-hydroxypropanoic acid;phosphate
SMILESCC(O)C(=O)O.O=P([O-])([O-])[O-].[Al+3]
InChIInChI=1S/C3H6O3.Al.H3O4P/c1-2(4)3(5)6;;1-5(2,3)4/h2,4H,1H3,(H,5,6);;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyKRGZAGGHKREJSM-UHFFFAOYSA-K
MW212.03 g/mol
LogP-3.75
Rot. Bonds1

About aluminum;2-hydroxypropanoic acid;phosphate

aluminum;2-hydroxypropanoic acid;phosphate (PubChem CID 172753326) has the molecular formula C3H6AlO7P and a molecular weight of 212.03 g/mol. Its IUPAC name is aluminum;2-hydroxypropanoic acid;phosphate.

Molecular Properties

Compound Namealuminum;2-hydroxypropanoic acid;phosphate
PubChem CID172753326
Molecular FormulaC3H6AlO7P
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Namealuminum;2-hydroxypropanoic acid;phosphate
SMILESCC(O)C(=O)O.O=P([O-])([O-])[O-].[Al+3]
InChIInChI=1S/C3H6O3.Al.H3O4P/c1-2(4)3(5)6;;1-5(2,3)4/h2,4H,1H3,(H,5,6);;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyKRGZAGGHKREJSM-UHFFFAOYSA-K
XLogP-3.75
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 5-3.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze aluminum;2-hydroxypropanoic acid;phosphate 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

potassium;dihydrogen phosphate;2-hydroxypropanoic acid
CID 174779739
2-hydroxypropanoic acid
CID 87075455
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474

Frequently Asked Questions

What is the IUPAC name of aluminum;2-hydroxypropanoic acid;phosphate?
The IUPAC name of aluminum;2-hydroxypropanoic acid;phosphate (CID 172753326) is aluminum;2-hydroxypropanoic acid;phosphate.
What is the SMILES notation for aluminum;2-hydroxypropanoic acid;phosphate?
The canonical SMILES for aluminum;2-hydroxypropanoic acid;phosphate is CC(O)C(=O)O.O=P([O-])([O-])[O-].[Al+3].
What is the InChIKey of aluminum;2-hydroxypropanoic acid;phosphate?
The InChIKey is KRGZAGGHKREJSM-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H6O3.Al.H3O4P/c1-2(4)3(5)6;;1-5(2,3)4/h2,4H,1H3,(H,5,6);;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of aluminum;2-hydroxypropanoic acid;phosphate?
aluminum;2-hydroxypropanoic acid;phosphate has a molecular weight of 212.03 g/mol, XLogP of -3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-hydroxypropanoic acid;phosphate is sourced from PubChem (CID 172753326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).