tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C22H40N2O6SSi — CID 10323231

IUPACtert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)c2nccs2)COC1(C)C
InChIInChI=1S/C22H40N2O6SSi/c1-20(2,3)29-19(27)24-14(13-28-22(24,7)8)17(30-32(9,10)21(4,5)6)15(25)16(26)18-23-11-12-31-18/h11-12,14-17,25-26H,13H2,1-10H3/t14-,15-,16-,17+/m1/s1
InChIKeyJYSDNLYHBCWAQA-VQHPVUNQSA-N
MW488.72 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10323231) has the molecular formula C22H40N2O6SSi and a molecular weight of 488.72 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10323231
Molecular FormulaC22H40N2O6SSi
Molecular Weight488.72 g/mol
Exact Mass488.24
IUPAC Nametert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)c2nccs2)COC1(C)C
InChIInChI=1S/C22H40N2O6SSi/c1-20(2,3)29-19(27)24-14(13-28-22(24,7)8)17(30-32(9,10)21(4,5)6)15(25)16(26)18-23-11-12-31-18/h11-12,14-17,25-26H,13H2,1-10H3/t14-,15-,16-,17+/m1/s1
InChIKeyJYSDNLYHBCWAQA-VQHPVUNQSA-N
XLogP4.30
TPSA101.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.72
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10323231) is tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)c2nccs2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JYSDNLYHBCWAQA-VQHPVUNQSA-N. The full InChI is InChI=1S/C22H40N2O6SSi/c1-20(2,3)29-19(27)24-14(13-28-22(24,7)8)17(30-32(9,10)21(4,5)6)15(25)16(26)18-23-11-12-31-18/h11-12,14-17,25-26H,13H2,1-10H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 488.72 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10323231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).