(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol

C15H22O4S — CID 11220252

IUPAC(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol
SMILESCO[C@@]1(C)C[C@H](O)C[C@H](C[S@](=O)c2ccc(C)cc2)O1
InChIInChI=1S/C15H22O4S/c1-11-4-6-14(7-5-11)20(17)10-13-8-12(16)9-15(2,18-3)19-13/h4-7,12-13,16H,8-10H2,1-3H3/t12-,13-,15-,20+/m1/s1
InChIKeyGQEWLHUOHRTIOK-VHTZSSMTSA-N
MW298.40 g/mol
LogP2.01
Rot. Bonds4

About (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol

(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol (PubChem CID 11220252) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol
PubChem CID11220252
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol
SMILESCO[C@@]1(C)C[C@H](O)C[C@H](C[S@](=O)c2ccc(C)cc2)O1
InChIInChI=1S/C15H22O4S/c1-11-4-6-14(7-5-11)20(17)10-13-8-12(16)9-15(2,18-3)19-13/h4-7,12-13,16H,8-10H2,1-3H3/t12-,13-,15-,20+/m1/s1
InChIKeyGQEWLHUOHRTIOK-VHTZSSMTSA-N
XLogP2.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol with MolForge

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Related Compounds

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
(1R,2S,5R)-2-(4-methylphenyl)sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 155562617
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)sulfanyloxane-3,4,5-triol
CID 172461518
[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
CID 134934219
Zqqpczykpljyiy-cvearbpzsa-
CID 11197672
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
CID 135060236
4-Methylphenyl 1-thio-alpha-D-mannopyranoside
CID 23635454
(5-Hydroxy-2-methoxy-6-methyloxan-3-yl) 4-methylbenzenesulfonate
CID 359616
2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene
CID 386664
5-Fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol
CID 58178537
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol
CID 137498507

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol?
The IUPAC name of (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol (CID 11220252) is (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol.
What is the SMILES notation for (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol?
The canonical SMILES for (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol is CO[C@@]1(C)C[C@H](O)C[C@H](C[S@](=O)c2ccc(C)cc2)O1.
What is the InChIKey of (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol?
The InChIKey is GQEWLHUOHRTIOK-VHTZSSMTSA-N. The full InChI is InChI=1S/C15H22O4S/c1-11-4-6-14(7-5-11)20(17)10-13-8-12(16)9-15(2,18-3)19-13/h4-7,12-13,16H,8-10H2,1-3H3/t12-,13-,15-,20+/m1/s1.
What are the key properties of (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol?
(2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol has a molecular weight of 298.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-2-methoxy-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxan-4-ol is sourced from PubChem (CID 11220252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).