lithium (2S)-3-methoxy-2-trityloxypropanoate

C23H21LiO4 — CID 156723269

IUPAClithium (2S)-3-methoxy-2-trityloxypropanoate
SMILESCOC[C@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-].[Li+]
InChIInChI=1S/C23H22O4.Li/c1-26-17-21(22(24)25)27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16,21H,17H2,1H3,(H,24,25);/q;+1/p-1/t21-;/m0./s1
InChIKeyWHMYYFNGGBWXLG-BOXHHOBZSA-M
MW368.36 g/mol
LogP-0.24
Rot. Bonds8

About lithium (2S)-3-methoxy-2-trityloxypropanoate

lithium (2S)-3-methoxy-2-trityloxypropanoate (PubChem CID 156723269) has the molecular formula C23H21LiO4 and a molecular weight of 368.36 g/mol. Its IUPAC name is lithium (2S)-3-methoxy-2-trityloxypropanoate.

Molecular Properties

Compound Namelithium (2S)-3-methoxy-2-trityloxypropanoate
PubChem CID156723269
Molecular FormulaC23H21LiO4
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Namelithium (2S)-3-methoxy-2-trityloxypropanoate
SMILESCOC[C@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-].[Li+]
InChIInChI=1S/C23H22O4.Li/c1-26-17-21(22(24)25)27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16,21H,17H2,1H3,(H,24,25);/q;+1/p-1/t21-;/m0./s1
InChIKeyWHMYYFNGGBWXLG-BOXHHOBZSA-M
XLogP-0.24
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze lithium (2S)-3-methoxy-2-trityloxypropanoate 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-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide
CID 174730220
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
CID 141332550
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
1-chloroethyl (2R)-2-trityloxypropanoate
CID 155219631
2-trityloxypropane-1,3-diol
CID 174565269
ethyl 2,3,3,4,5,5,6,7-octahydroxy-7-trityloxyheptanoate
CID 54562469
(Z,5S)-3-methoxy-4-oxo-5-trityloxyhex-2-enal
CID 101479389
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
CID 67869334
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-3-methoxy-2-trityloxypropanoate?
The IUPAC name of lithium (2S)-3-methoxy-2-trityloxypropanoate (CID 156723269) is lithium (2S)-3-methoxy-2-trityloxypropanoate.
What is the SMILES notation for lithium (2S)-3-methoxy-2-trityloxypropanoate?
The canonical SMILES for lithium (2S)-3-methoxy-2-trityloxypropanoate is COC[C@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-].[Li+].
What is the InChIKey of lithium (2S)-3-methoxy-2-trityloxypropanoate?
The InChIKey is WHMYYFNGGBWXLG-BOXHHOBZSA-M. The full InChI is InChI=1S/C23H22O4.Li/c1-26-17-21(22(24)25)27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16,21H,17H2,1H3,(H,24,25);/q;+1/p-1/t21-;/m0./s1.
What are the key properties of lithium (2S)-3-methoxy-2-trityloxypropanoate?
lithium (2S)-3-methoxy-2-trityloxypropanoate has a molecular weight of 368.36 g/mol, XLogP of -0.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-3-methoxy-2-trityloxypropanoate is sourced from PubChem (CID 156723269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).