(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol

C15H22O2S — CID 163437678

IUPAC(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol
SMILESCCC1O[C@H](Sc2ccccc2)C(O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H22O2S/c1-4-13-10(2)11(3)14(16)15(17-13)18-12-8-6-5-7-9-12/h5-11,13-16H,4H2,1-3H3/t10-,11-,13?,14?,15+/m0/s1
InChIKeyAVWFCWSDXMEIJV-XSIDXRKQSA-N
MW266.41 g/mol
LogP3.55
Rot. Bonds3

About (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol

(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol (PubChem CID 163437678) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol
PubChem CID163437678
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol
SMILESCCC1O[C@H](Sc2ccccc2)C(O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H22O2S/c1-4-13-10(2)11(3)14(16)15(17-13)18-12-8-6-5-7-9-12/h5-11,13-16H,4H2,1-3H3/t10-,11-,13?,14?,15+/m0/s1
InChIKeyAVWFCWSDXMEIJV-XSIDXRKQSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl thio-beta-D-galactopyranoside
CID 2802071
2-methyl-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258403
2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258413
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
(2R,3S,4S,5S,6R)-2-(Benzylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 53324146
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
Phenyl beta-D-thiogalactopyranoside
CID 314404
(2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-methyl-3-phenylsulfanylprop-2-enyl]oxane-3,4-diol
CID 71456287
(2S,3R,4R,5S)-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]-2-[(E)-2-methyl-3-phenylsulfanylprop-2-enyl]oxane-3,4-diol
CID 71461727
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)sulfanyloxane-3,4,5-triol
CID 172461518
4-[Methoxy(phenylsulfanyl)methyl]oxan-4-ol
CID 10800955
4-[Methoxy(phenylsulfanyl)methyl]thian-4-ol
CID 10802014

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol?
The IUPAC name of (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol (CID 163437678) is (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol.
What is the SMILES notation for (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol?
The canonical SMILES for (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol is CCC1O[C@H](Sc2ccccc2)C(O)[C@@H](C)[C@@H]1C.
What is the InChIKey of (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol?
The InChIKey is AVWFCWSDXMEIJV-XSIDXRKQSA-N. The full InChI is InChI=1S/C15H22O2S/c1-4-13-10(2)11(3)14(16)15(17-13)18-12-8-6-5-7-9-12/h5-11,13-16H,4H2,1-3H3/t10-,11-,13?,14?,15+/m0/s1.
What are the key properties of (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol?
(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol has a molecular weight of 266.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-6-ethyl-4,5-dimethyl-2-phenylsulfanyloxan-3-ol is sourced from PubChem (CID 163437678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).