[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate

C23H32O7SSi — CID 87408745

IUPAC[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate
SMILESCOC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OS(C)(=O)=O)[C@H]1O
InChIInChI=1S/C23H32O7SSi/c1-23(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-21(30-31(5,25)26)20(24)22(27-4)29-19/h6-15,19-22,24H,16H2,1-5H3/t19-,20-,21+,22?/m1/s1
InChIKeyGIDRIIXSFTVQKU-IZCSPVGOSA-N
MW480.66 g/mol
LogP1.64
Rot. Bonds8

About [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate

[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate (PubChem CID 87408745) has the molecular formula C23H32O7SSi and a molecular weight of 480.66 g/mol. Its IUPAC name is [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate
PubChem CID87408745
Molecular FormulaC23H32O7SSi
Molecular Weight480.66 g/mol
Exact Mass480.16
IUPAC Name[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate
SMILESCOC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OS(C)(=O)=O)[C@H]1O
InChIInChI=1S/C23H32O7SSi/c1-23(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-21(30-31(5,25)26)20(24)22(27-4)29-19/h6-15,19-22,24H,16H2,1-5H3/t19-,20-,21+,22?/m1/s1
InChIKeyGIDRIIXSFTVQKU-IZCSPVGOSA-N
XLogP1.64
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate?
The IUPAC name of [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate (CID 87408745) is [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate?
The canonical SMILES for [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate is COC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OS(C)(=O)=O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate?
The InChIKey is GIDRIIXSFTVQKU-IZCSPVGOSA-N. The full InChI is InChI=1S/C23H32O7SSi/c1-23(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-21(30-31(5,25)26)20(24)22(27-4)29-19/h6-15,19-22,24H,16H2,1-5H3/t19-,20-,21+,22?/m1/s1.
What are the key properties of [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate?
[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate has a molecular weight of 480.66 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-methoxyoxolan-3-yl] methanesulfonate is sourced from PubChem (CID 87408745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).