[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate

C13H28O6SSi — CID 139606357

IUPAC[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate
SMILES[2H]CS(=O)(=O)O[C@H]1CC(OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O6SSi/c1-13(2,3)21(6,7)17-9-11-10(19-20(5,14)15)8-12(16-4)18-11/h10-12H,8-9H2,1-7H3/t10-,11+,12?/m0/s1/i5D
InChIKeyRPMSZPZNHNPYGG-GIUSIONYSA-N
MW341.52 g/mol
LogP2.11
Rot. Bonds7

About [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate

[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate (PubChem CID 139606357) has the molecular formula C13H28O6SSi and a molecular weight of 341.52 g/mol. Its IUPAC name is [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate.

Molecular Properties

Compound Name[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate
PubChem CID139606357
Molecular FormulaC13H28O6SSi
Molecular Weight341.52 g/mol
Exact Mass341.14
IUPAC Name[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate
SMILES[2H]CS(=O)(=O)O[C@H]1CC(OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O6SSi/c1-13(2,3)21(6,7)17-9-11-10(19-20(5,14)15)8-12(16-4)18-11/h10-12H,8-9H2,1-7H3/t10-,11+,12?/m0/s1/i5D
InChIKeyRPMSZPZNHNPYGG-GIUSIONYSA-N
XLogP2.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.11
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 [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate with MolForge

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Related Compounds

[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
CID 13477308
TBDMS(-2)[Tf(-3)][TBDMS(-5)]b-Ribf1Me
CID 146020063
Tf(-2)[TBDMS(-3)][TBDMS(-5)]b-Ribf1Me
CID 146020065
D-erythro-Pentofuranose, 2-deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-2,2-difluoro-, 1-methanesulfonate
CID 13477310
[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
CID 57857434
[(2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
CID 58946417
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
CID 58995265
[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-yl] methanesulfonate
CID 10672253
[(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] trifluoromethanesulfonate
CID 10717787
[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-(methoxymethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] trifluoromethanesulfonate
CID 10906987
[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 10576038
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] methanesulfonate
CID 14990095

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate?
The IUPAC name of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate (CID 139606357) is [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate.
What is the SMILES notation for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate?
The canonical SMILES for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate is [2H]CS(=O)(=O)O[C@H]1CC(OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate?
The InChIKey is RPMSZPZNHNPYGG-GIUSIONYSA-N. The full InChI is InChI=1S/C13H28O6SSi/c1-13(2,3)21(6,7)17-9-11-10(19-20(5,14)15)8-12(16-4)18-11/h10-12H,8-9H2,1-7H3/t10-,11+,12?/m0/s1/i5D.
What are the key properties of [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate?
[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate has a molecular weight of 341.52 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] deuteriomethanesulfonate is sourced from PubChem (CID 139606357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).