trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate

Details

• Internal ID: 742947e4-2bdc-4481-adc5-34c97d1dc009
• Taxonomy: Organometallic compounds > Organometalloid compounds > Organosilicon compounds > Trimethylsilyl esters
• IUPAC Name: trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
• SMILES (Canonical): CC(COCC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
• SMILES (Isomeric): C[C@@H](COC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
• InChI: InChI=1S/C16H38O5Si3/c1-14(16(17)21-24(8,9)10)11-18-12-15(20-23(5,6)7)13-19-22(2,3)4/h14-15H,11-13H2,1-10H3/t14-,15+/m0/s1
• InChI Key: YTNMLZVAADXGMA-LSDHHAIUSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₃₈O₅Si₃
• Molecular Weight: 394.72 g/mol
• Exact Mass: 394.20270391 g/mol
• Topological Polar Surface Area (TPSA): 54.00 Ų
• XlogP: 0.00

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.73%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	89.36%	94.73%
CHEMBL2581	P07339	Cathepsin D	87.22%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.63%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.21%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162937304
• LOTUS: LTS0135020
• wikiData: Q105361760