calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid

C8H12CaMgO3 — CID 174709694

IUPACcalcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)[C@H](O)c1ccccc1.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C8H8O3.Ca.Mg.4H/c9-7(8(10)11)6-4-2-1-3-5-6;;;;;;/h1-5,7,9H,(H,10,11);;;;;;/q;2*+2;4*-1/t7-;;;;;;/m1....../s1
InChIKeyWPBZBAMCHIPUAA-USEIYGKDSA-N
MW220.56 g/mol
LogP0.49
Rot. Bonds2

About calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid

calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid (PubChem CID 174709694) has the molecular formula C8H12CaMgO3 and a molecular weight of 220.56 g/mol. Its IUPAC name is calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Namecalcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
PubChem CID174709694
Molecular FormulaC8H12CaMgO3
Molecular Weight220.56 g/mol
Exact Mass220.03
IUPAC Namecalcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)[C@H](O)c1ccccc1.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C8H8O3.Ca.Mg.4H/c9-7(8(10)11)6-4-2-1-3-5-6;;;;;;/h1-5,7,9H,(H,10,11);;;;;;/q;2*+2;4*-1/t7-;;;;;;/m1....../s1
InChIKeyWPBZBAMCHIPUAA-USEIYGKDSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.56
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid?
The IUPAC name of calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid (CID 174709694) is calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid?
The canonical SMILES for calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid is O=C(O)[C@H](O)c1ccccc1.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid?
The InChIKey is WPBZBAMCHIPUAA-USEIYGKDSA-N. The full InChI is InChI=1S/C8H8O3.Ca.Mg.4H/c9-7(8(10)11)6-4-2-1-3-5-6;;;;;;/h1-5,7,9H,(H,10,11);;;;;;/q;2*+2;4*-1/t7-;;;;;;/m1....../s1.
What are the key properties of calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid?
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid has a molecular weight of 220.56 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 174709694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).