tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C25H47NO8Si — CID 59053174

IUPACtert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C[C@]2(CO)C[C@H]3OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O2)COC1(C)C
InChIInChI=1S/C25H47NO8Si/c1-22(2,3)33-21(29)26-16(13-31-24(26,7)8)11-25(15-27)12-17-20(32-25)19(28)18(14-30-17)34-35(9,10)23(4,5)6/h16-20,27-28H,11-15H2,1-10H3/t16-,17+,18+,19-,20-,25+/m0/s1
InChIKeyXFGJXZALVXFHPS-ABWWZVPESA-N
MW517.74 g/mol
LogP3.42
Rot. Bonds5

About tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 59053174) has the molecular formula C25H47NO8Si and a molecular weight of 517.74 g/mol. Its IUPAC name is tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID59053174
Molecular FormulaC25H47NO8Si
Molecular Weight517.74 g/mol
Exact Mass517.31
IUPAC Nametert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C[C@]2(CO)C[C@H]3OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O2)COC1(C)C
InChIInChI=1S/C25H47NO8Si/c1-22(2,3)33-21(29)26-16(13-31-24(26,7)8)11-25(15-27)12-17-20(32-25)19(28)18(14-30-17)34-35(9,10)23(4,5)6/h16-20,27-28H,11-15H2,1-10H3/t16-,17+,18+,19-,20-,25+/m0/s1
InChIKeyXFGJXZALVXFHPS-ABWWZVPESA-N
XLogP3.42
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.74
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-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)-4-[(R)-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10624465
tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10817246
tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11802227
(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
CID 24766097

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 59053174) is tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C[C@]2(CO)C[C@H]3OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XFGJXZALVXFHPS-ABWWZVPESA-N. The full InChI is InChI=1S/C25H47NO8Si/c1-22(2,3)33-21(29)26-16(13-31-24(26,7)8)11-25(15-27)12-17-20(32-25)19(28)18(14-30-17)34-35(9,10)23(4,5)6/h16-20,27-28H,11-15H2,1-10H3/t16-,17+,18+,19-,20-,25+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 517.74 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 59053174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).