[2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate

C30H39NO8Si — CID 16664975

IUPAC[2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OCC1CC(=O)N([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)O1
InChIInChI=1S/C30H39NO8Si/c1-20(32)34-18-21-17-25(33)31(39-21)28-27-26(37-30(5,6)38-27)24(36-28)19-35-40(29(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24,26-28H,17-19H2,1-6H3/t21?,24-,26+,27+,28-/m1/s1
InChIKeyHISFIGRADPWDJX-LJQCMJFPSA-N
MW569.73 g/mol
LogP2.90
Rot. Bonds8

About [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate

[2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate (PubChem CID 16664975) has the molecular formula C30H39NO8Si and a molecular weight of 569.73 g/mol. Its IUPAC name is [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate
PubChem CID16664975
Molecular FormulaC30H39NO8Si
Molecular Weight569.73 g/mol
Exact Mass569.24
IUPAC Name[2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OCC1CC(=O)N([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)O1
InChIInChI=1S/C30H39NO8Si/c1-20(32)34-18-21-17-25(33)31(39-21)28-27-26(37-30(5,6)38-27)24(36-28)19-35-40(29(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24,26-28H,17-19H2,1-6H3/t21?,24-,26+,27+,28-/m1/s1
InChIKeyHISFIGRADPWDJX-LJQCMJFPSA-N
XLogP2.90
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate (CID 16664975) is [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate is CC(=O)OCC1CC(=O)N([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)O1.
What is the InChIKey of [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate?
The InChIKey is HISFIGRADPWDJX-LJQCMJFPSA-N. The full InChI is InChI=1S/C30H39NO8Si/c1-20(32)34-18-21-17-25(33)31(39-21)28-27-26(37-30(5,6)38-27)24(36-28)19-35-40(29(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24,26-28H,17-19H2,1-6H3/t21?,24-,26+,27+,28-/m1/s1.
What are the key properties of [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate?
[2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate has a molecular weight of 569.73 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3aS,4R,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-1,2-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 16664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).