(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol

C10H20O5S — CID 140997218

IUPAC(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
SMILESCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H20O5S/c1-4-16-10-9(14-3)8(13-2)7(12)6(5-11)15-10/h6-12H,4-5H2,1-3H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyYEFFORRYJNSDSN-SPFKKGSWSA-N
MW252.33 g/mol
LogP-0.15
Rot. Bonds5

About (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol

(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol (PubChem CID 140997218) has the molecular formula C10H20O5S and a molecular weight of 252.33 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
PubChem CID140997218
Molecular FormulaC10H20O5S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC Name(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
SMILESCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H20O5S/c1-4-16-10-9(14-3)8(13-2)7(12)6(5-11)15-10/h6-12H,4-5H2,1-3H3/t6-,7-,8+,9-,10+/m1/s1
InChIKeyYEFFORRYJNSDSN-SPFKKGSWSA-N
XLogP-0.15
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 130874585
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
[(2S,4S,5R)-3-benzoyloxy-2-ethylsulfanyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
CID 177106735
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
CID 22876210
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11814142
tris((6R)-2-(hydroxymethyl)-4-methoxy-6-methyloxane-3,5-diol);tris((6R)-2-(hydroxymethyl)-5-methoxy-6-methyloxane-3,4-diol);methane
CID 163806086
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol (CID 140997218) is (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol is CCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
The InChIKey is YEFFORRYJNSDSN-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H20O5S/c1-4-16-10-9(14-3)8(13-2)7(12)6(5-11)15-10/h6-12H,4-5H2,1-3H3/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol?
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol has a molecular weight of 252.33 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol is sourced from PubChem (CID 140997218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).