(2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol

C10H20O2S — CID 58723190

IUPAC(2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol
SMILESCC[C@H]1OC(SC)[C@H](C)[C@H](C)[C@@H]1O
InChIInChI=1S/C10H20O2S/c1-5-8-9(11)6(2)7(3)10(12-8)13-4/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10?/m0/s1
InChIKeyBZRQOYMOIWPWRE-YHTCJBSDSA-N
MW204.33 g/mol
LogP2.12
Rot. Bonds2

About (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol

(2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol (PubChem CID 58723190) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol
PubChem CID58723190
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol
SMILESCC[C@H]1OC(SC)[C@H](C)[C@H](C)[C@@H]1O
InChIInChI=1S/C10H20O2S/c1-5-8-9(11)6(2)7(3)10(12-8)13-4/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10?/m0/s1
InChIKeyBZRQOYMOIWPWRE-YHTCJBSDSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4,5-Trimethyl-6-methylsulfanyloxan-2-yl)methanol
CID 20660413
3-(6-Cyclohexylhexylsulfanyl)-2-decoxypropan-1-ol
CID 21847573
3-(8-Cyclohexyloctylsulfanyl)-2-decoxypropan-1-ol
CID 21847596
3-(12-Cyclohexyldodecylsulfanyl)-2-decoxypropan-1-ol
CID 21847618
3-(5-Cyclohexylpentylsulfanyl)-2-decoxypropan-1-ol
CID 21847620
3-(10-Cyclohexyldecylsulfanyl)-2-decoxypropan-1-ol
CID 21847641
(2S,3R,4S,5R)-2-(7-methyloctylsulfanyl)oxane-3,4,5-triol
CID 54110773
(2S,5R)-2-(3,4-dimethylpentan-2-ylsulfanyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54419399
3-(2-Butyloctylsulfanyl)-2-decoxypropan-1-ol
CID 57105360
(3R,4R,6S)-2-(hydroxymethyl)-4,5-dimethyl-6-methylsulfanyloxan-3-ol
CID 57747712
[(3R,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methanol
CID 58173897
(2S,4S,5R)-6-ethyl-4,5-dimethyl-2-propan-2-ylsulfanyloxan-3-ol
CID 58173947

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol?
The IUPAC name of (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol (CID 58723190) is (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol?
The canonical SMILES for (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol is CC[C@H]1OC(SC)[C@H](C)[C@H](C)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol?
The InChIKey is BZRQOYMOIWPWRE-YHTCJBSDSA-N. The full InChI is InChI=1S/C10H20O2S/c1-5-8-9(11)6(2)7(3)10(12-8)13-4/h6-11H,5H2,1-4H3/t6-,7+,8+,9-,10?/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol?
(2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol has a molecular weight of 204.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-ethyl-4,5-dimethyl-6-methylsulfanyloxan-3-ol is sourced from PubChem (CID 58723190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).