bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate

C24H21GaO9 — CID 140596039

IUPACbis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
SMILESO=C(O[Ga](OC(=O)[C@H](O)c1ccccc1)OC(=O)[C@H](O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/3C8H8O3.Ga/c3*9-7(8(10)11)6-4-2-1-3-5-6;/h3*1-5,7,9H,(H,10,11);/q;;;+3/p-3/t2*7-;;/m11../s1
InChIKeyIEBNKXYERBRJAH-MQIYEYLPSA-K
MW523.15 g/mol
LogP1.80
Rot. Bonds9

About bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate

bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate (PubChem CID 140596039) has the molecular formula C24H21GaO9 and a molecular weight of 523.15 g/mol. Its IUPAC name is bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namebis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
PubChem CID140596039
Molecular FormulaC24H21GaO9
Molecular Weight523.15 g/mol
Exact Mass522.04
IUPAC Namebis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
SMILESO=C(O[Ga](OC(=O)[C@H](O)c1ccccc1)OC(=O)[C@H](O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/3C8H8O3.Ga/c3*9-7(8(10)11)6-4-2-1-3-5-6;/h3*1-5,7,9H,(H,10,11);/q;;;+3/p-3/t2*7-;;/m11../s1
InChIKeyIEBNKXYERBRJAH-MQIYEYLPSA-K
XLogP1.80
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.15
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate 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

(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
nitro (2R)-2-hydroxy-2-phenylacetate
CID 174469907
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
(E)-4-[(2R)-2-hydroxy-2-phenylacetyl]oxy-4-oxobut-2-enoic acid
CID 87746936

Frequently Asked Questions

What is the IUPAC name of bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate?
The IUPAC name of bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate (CID 140596039) is bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate is O=C(O[Ga](OC(=O)[C@H](O)c1ccccc1)OC(=O)[C@H](O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate?
The InChIKey is IEBNKXYERBRJAH-MQIYEYLPSA-K. The full InChI is InChI=1S/3C8H8O3.Ga/c3*9-7(8(10)11)6-4-2-1-3-5-6;/h3*1-5,7,9H,(H,10,11);/q;;;+3/p-3/t2*7-;;/m11../s1.
What are the key properties of bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate?
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate has a molecular weight of 523.15 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 140596039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).