(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol

C16H24O6S — CID 22876210

IUPAC(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
SMILESCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C16H24O6S/c1-3-23-16-15(14(19)13(18)12(8-17)22-16)21-9-10-4-6-11(20-2)7-5-10/h4-7,12-19H,3,8-9H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyHVEGKKMZBHBESF-CWVYHPPDSA-N
MW344.43 g/mol
LogP0.77
Rot. Bonds7

About (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol

(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol (PubChem CID 22876210) has the molecular formula C16H24O6S and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
PubChem CID22876210
Molecular FormulaC16H24O6S
Molecular Weight344.43 g/mol
Exact Mass344.13
IUPAC Name(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
SMILESCCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C16H24O6S/c1-3-23-16-15(14(19)13(18)12(8-17)22-16)21-9-10-4-6-11(20-2)7-5-10/h4-7,12-19H,3,8-9H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyHVEGKKMZBHBESF-CWVYHPPDSA-N
XLogP0.77
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol
CID 22879001
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 11539901
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-prop-2-enoxyoxane-3,5-diol
CID 23255634
(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
CID 171126723
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methoxy]ethoxy]oxane-3,4,5-triol
CID 10088852
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 140997218
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;1-methoxy-4-[3-[3-(4-methoxyphenyl)propoxy]propyl]benzene
CID 69135577
(2S,4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-8-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 24814328
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol (CID 22876210) is (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol is CCS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol?
The InChIKey is HVEGKKMZBHBESF-CWVYHPPDSA-N. The full InChI is InChI=1S/C16H24O6S/c1-3-23-16-15(14(19)13(18)12(8-17)22-16)21-9-10-4-6-11(20-2)7-5-10/h4-7,12-19H,3,8-9H2,1-2H3/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol?
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol has a molecular weight of 344.43 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol is sourced from PubChem (CID 22876210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).