tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C21H43NO7Si — CID 57385687

IUPACtert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H](O)[C@@H](O)[C@H](O)CCO[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C21H43NO7Si/c1-19(2,3)29-18(26)22-14(13-27-21(22,7)8)16(24)17(25)15(23)11-12-28-30(9,10)20(4,5)6/h14-17,23-25H,11-13H2,1-10H3/t14-,15+,16-,17-/m0/s1
InChIKeyZBWLGRXPIUQLTA-YVSFHVDLSA-N
MW449.66 g/mol
LogP2.85
Rot. Bonds7

About tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 57385687) has the molecular formula C21H43NO7Si and a molecular weight of 449.66 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID57385687
Molecular FormulaC21H43NO7Si
Molecular Weight449.66 g/mol
Exact Mass449.28
IUPAC Nametert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H](O)[C@@H](O)[C@H](O)CCO[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C21H43NO7Si/c1-19(2,3)29-18(26)22-14(13-27-21(22,7)8)16(24)17(25)15(23)11-12-28-30(9,10)20(4,5)6/h14-17,23-25H,11-13H2,1-10H3/t14-,15+,16-,17-/m0/s1
InChIKeyZBWLGRXPIUQLTA-YVSFHVDLSA-N
XLogP2.85
TPSA108.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 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

tert-butyl (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-2,2-dimethyl-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidine-3-carboxylate
CID 24754735
tert-butyl (4S,5S)-5-[(1R)-1-hydroxypentadecyl]-2,2-dimethyl-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidine-3-carboxylate
CID 24754736
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate
CID 10499722
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(3-hydroxypropyl)pyrrolidine
CID 10666199
(2S,4R)-1-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-[(S)-1,3-dihydroxypropyl]pyrrolidine
CID 10690892
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxyhexadecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10906602
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate
CID 19427869
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
CID 19427908
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 19427932
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate
CID 19428082
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-hydroxypropyl)pyrrolidine
CID 22864761
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-hydroxybutyl)pyrrolidine-1-carboxylate
CID 22864768

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 57385687) is tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H]([C@H](O)[C@@H](O)[C@H](O)CCO[Si](C)(C)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZBWLGRXPIUQLTA-YVSFHVDLSA-N. The full InChI is InChI=1S/C21H43NO7Si/c1-19(2,3)29-18(26)22-14(13-27-21(22,7)8)16(24)17(25)15(23)11-12-28-30(9,10)20(4,5)6/h14-17,23-25H,11-13H2,1-10H3/t14-,15+,16-,17-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 449.66 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57385687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).