(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid

C12H18O3Si — CID 10988339

IUPAC(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
SMILESC[Si](C)(C)[C@H](C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)11(12(14)15)10(13)9-7-5-4-6-8-9/h4-8,10-11,13H,1-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyQDYNKTAEBCWYSK-QWRGUYRKSA-N
MW238.36 g/mol
LogP2.51
Rot. Bonds4

About (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid

(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid (PubChem CID 10988339) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
PubChem CID10988339
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
SMILESC[Si](C)(C)[C@H](C(=O)O)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H18O3Si/c1-16(2,3)11(12(14)15)10(13)9-7-5-4-6-8-9/h4-8,10-11,13H,1-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyQDYNKTAEBCWYSK-QWRGUYRKSA-N
XLogP2.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
(2R,3S)-3-hydroxy-2-methylsulfanyl-3-phenylpropanoic acid
CID 10632330
(1R,2R)-1,2-diphenyl-3-trimethylsilylpropan-1-ol
CID 124629266
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid?
The IUPAC name of (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid (CID 10988339) is (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid.
What is the SMILES notation for (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid?
The canonical SMILES for (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid is C[Si](C)(C)[C@H](C(=O)O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid?
The InChIKey is QDYNKTAEBCWYSK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-16(2,3)11(12(14)15)10(13)9-7-5-4-6-8-9/h4-8,10-11,13H,1-3H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid?
(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid has a molecular weight of 238.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid is sourced from PubChem (CID 10988339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).