(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol

C18H30O5SSi — CID 166177055

IUPAC(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H30O5SSi/c1-18(2,3)25(4,5)22-11-13-14(19)15(20)16(21)17(23-13)24-12-9-7-6-8-10-12/h6-10,13-17,19-21H,11H2,1-5H3/t13-,14-,15+,16+,17+/m1/s1
InChIKeyTWBUWRKSGDZICZ-NRKLIOEPSA-N
MW386.59 g/mol
LogP2.61
Rot. Bonds5

About (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol (PubChem CID 166177055) has the molecular formula C18H30O5SSi and a molecular weight of 386.59 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
PubChem CID166177055
Molecular FormulaC18H30O5SSi
Molecular Weight386.59 g/mol
Exact Mass386.16
IUPAC Name(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H30O5SSi/c1-18(2,3)25(4,5)22-11-13-14(19)15(20)16(21)17(23-13)24-12-9-7-6-8-10-12/h6-10,13-17,19-21H,11H2,1-5H3/t13-,14-,15+,16+,17+/m1/s1
InChIKeyTWBUWRKSGDZICZ-NRKLIOEPSA-N
XLogP2.61
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol (CID 166177055) is (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
The InChIKey is TWBUWRKSGDZICZ-NRKLIOEPSA-N. The full InChI is InChI=1S/C18H30O5SSi/c1-18(2,3)25(4,5)22-11-13-14(19)15(20)16(21)17(23-13)24-12-9-7-6-8-10-12/h6-10,13-17,19-21H,11H2,1-5H3/t13-,14-,15+,16+,17+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol has a molecular weight of 386.59 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-phenylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 166177055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).