(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol

C14H20O4S — CID 178078507

IUPAC(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol
SMILESCc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2C)cc1
InChIInChI=1S/C14H20O4S/c1-8-3-5-10(6-4-8)19-14-9(2)12(16)13(17)11(7-15)18-14/h3-6,9,11-17H,7H2,1-2H3/t9-,11-,12-,13-,14-/m1/s1
InChIKeyKWWCPHXZYGYSPE-DKTYCGPESA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds3

About (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol (PubChem CID 178078507) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol
PubChem CID178078507
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol
SMILESCc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2C)cc1
InChIInChI=1S/C14H20O4S/c1-8-3-5-10(6-4-8)19-14-9(2)12(16)13(17)11(7-15)18-14/h3-6,9,11-17H,7H2,1-2H3/t9-,11-,12-,13-,14-/m1/s1
InChIKeyKWWCPHXZYGYSPE-DKTYCGPESA-N
XLogP1.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol with MolForge

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Related Compounds

(3R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
CID 139024639
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol
CID 137498507
[(1S,2R,4R,5S)-4-(4-methylphenyl)sulfanyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10857526
[(1R,2R,4S,5R)-4-(4-methylphenyl)sulfanyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11253400
(2S,3R,4S,5R,6R)-2-(4-tert-butylphenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69404202
(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
CID 54042822
(2S,3R,4S,5R,6R)-2-(4-aminophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7408088
2-(hydroxymethyl)-6-[4-(methylamino)phenyl]sulfanyloxane-3,4,5-triol
CID 45157604
(2S,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 11140243
(3S,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 70671710
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 22879779
N-[(2S,3S,4R,5S,6R)-2-(4-aminophenyl)sulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 56994174

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol (CID 178078507) is (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol is Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2C)cc1.
What is the InChIKey of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol?
The InChIKey is KWWCPHXZYGYSPE-DKTYCGPESA-N. The full InChI is InChI=1S/C14H20O4S/c1-8-3-5-10(6-4-8)19-14-9(2)12(16)13(17)11(7-15)18-14/h3-6,9,11-17H,7H2,1-2H3/t9-,11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol?
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol has a molecular weight of 284.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-5-methyl-6-(4-methylphenyl)sulfanyloxane-3,4-diol is sourced from PubChem (CID 178078507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).