[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate

C18H38F2O6SSi2 — CID 58946417

IUPAC[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OS(C)(=O)=O)C(F)(F)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38F2O6SSi2/c1-16(2,3)28(8,9)23-12-13-14(26-29(10,11)17(4,5)6)18(19,20)15(24-13)25-27(7,21)22/h13-15H,12H2,1-11H3/t13-,14?,15+/m1/s1
InChIKeyQCYNVDBDIWESER-LOWNFYCTSA-N
MW476.73 g/mol
LogP4.74
Rot. Bonds7

About [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate

[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate (PubChem CID 58946417) has the molecular formula C18H38F2O6SSi2 and a molecular weight of 476.73 g/mol. Its IUPAC name is [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
PubChem CID58946417
Molecular FormulaC18H38F2O6SSi2
Molecular Weight476.73 g/mol
Exact Mass476.19
IUPAC Name[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OS(C)(=O)=O)C(F)(F)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38F2O6SSi2/c1-16(2,3)28(8,9)23-12-13-14(26-29(10,11)17(4,5)6)18(19,20)15(24-13)25-27(7,21)22/h13-15H,12H2,1-11H3/t13-,14?,15+/m1/s1
InChIKeyQCYNVDBDIWESER-LOWNFYCTSA-N
XLogP4.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.73
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate 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 [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate?
The IUPAC name of [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate (CID 58946417) is [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate.
What is the SMILES notation for [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate?
The canonical SMILES for [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OS(C)(=O)=O)C(F)(F)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate?
The InChIKey is QCYNVDBDIWESER-LOWNFYCTSA-N. The full InChI is InChI=1S/C18H38F2O6SSi2/c1-16(2,3)28(8,9)23-12-13-14(26-29(10,11)17(4,5)6)18(19,20)15(24-13)25-27(7,21)22/h13-15H,12H2,1-11H3/t13-,14?,15+/m1/s1.
What are the key properties of [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate?
[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate has a molecular weight of 476.73 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate is sourced from PubChem (CID 58946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).