(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol

C12H16O3S — CID 97302359

IUPAC(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol
SMILESC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](Sc2ccccc2)O1
InChIInChI=1S/C12H16O3S/c1-8-7-10(13)11(14)12(15-8)16-9-5-3-2-4-6-9/h2-6,8,10-14H,7H2,1H3/t8-,10-,11+,12-/m1/s1
InChIKeyCPLHPMJQEAMSCN-KXGXSXBTSA-N
MW240.32 g/mol
LogP1.64
Rot. Bonds2

About (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol

(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol (PubChem CID 97302359) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol
PubChem CID97302359
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol
SMILESC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](Sc2ccccc2)O1
InChIInChI=1S/C12H16O3S/c1-8-7-10(13)11(14)12(15-8)16-9-5-3-2-4-6-9/h2-6,8,10-14H,7H2,1H3/t8-,10-,11+,12-/m1/s1
InChIKeyCPLHPMJQEAMSCN-KXGXSXBTSA-N
XLogP1.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,4R,5S,6S)-2-methyl-4-phenylsulfanyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 132513322
(2S,3R,4S,5R,6S)-5-methoxy-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 101130775
2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol
CID 58708353
(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
CID 54042822
(2S,3R,4R,5R,6S)-5-butoxy-2-methyl-6-phenylsulfanyloxane-3,4-diol
CID 70962762
(2S,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 11140243
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 22879779
(3S,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 70671710
(6S,8R,8aS)-8-methyl-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 70671187
(6R,8R,8aR)-8-methyl-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 130187925
6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 174212231
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol (CID 97302359) is (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol is C[C@@H]1C[C@@H](O)[C@H](O)[C@@H](Sc2ccccc2)O1.
What is the InChIKey of (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol?
The InChIKey is CPLHPMJQEAMSCN-KXGXSXBTSA-N. The full InChI is InChI=1S/C12H16O3S/c1-8-7-10(13)11(14)12(15-8)16-9-5-3-2-4-6-9/h2-6,8,10-14H,7H2,1H3/t8-,10-,11+,12-/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol?
(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol has a molecular weight of 240.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol is sourced from PubChem (CID 97302359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).