(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol

C18H28O3SSi — CID 14408016

IUPAC(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](Sc2ccccc2)C=C[C@H]1O
InChIInChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)20-13-16-15(19)11-12-17(21-16)22-14-9-7-6-8-10-14/h6-12,15-17,19H,13H2,1-5H3/t15-,16-,17-/m1/s1
InChIKeyNLYVBPGSBMWAMX-BRWVUGGUSA-N
MW352.57 g/mol
LogP4.44
Rot. Bonds5

About (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 14408016) has the molecular formula C18H28O3SSi and a molecular weight of 352.57 g/mol. Its IUPAC name is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID14408016
Molecular FormulaC18H28O3SSi
Molecular Weight352.57 g/mol
Exact Mass352.15
IUPAC Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](Sc2ccccc2)C=C[C@H]1O
InChIInChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)20-13-16-15(19)11-12-17(21-16)22-14-9-7-6-8-10-14/h6-12,15-17,19H,13H2,1-5H3/t15-,16-,17-/m1/s1
InChIKeyNLYVBPGSBMWAMX-BRWVUGGUSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol (CID 14408016) is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](Sc2ccccc2)C=C[C@H]1O.
What is the InChIKey of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is NLYVBPGSBMWAMX-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H28O3SSi/c1-18(2,3)23(4,5)20-13-16-15(19)11-12-17(21-16)22-14-9-7-6-8-10-14/h6-12,15-17,19H,13H2,1-5H3/t15-,16-,17-/m1/s1.
What are the key properties of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 352.57 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 14408016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).