(2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol

C8H16O4S — CID 10910755

IUPAC(2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol
SMILESCCS[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O4S/c1-3-13-8-7(11)6(10)5(9)4(2)12-8/h4-11H,3H2,1-2H3/t4-,5+,6+,7-,8+/m0/s1
InChIKeyFFRRGRSSCFQGAP-FMGWEMOISA-N
MW208.28 g/mol
LogP-0.43
Rot. Bonds2

About (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol

(2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol (PubChem CID 10910755) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol
PubChem CID10910755
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name(2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol
SMILESCCS[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O4S/c1-3-13-8-7(11)6(10)5(9)4(2)12-8/h4-11H,3H2,1-2H3/t4-,5+,6+,7-,8+/m0/s1
InChIKeyFFRRGRSSCFQGAP-FMGWEMOISA-N
XLogP-0.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol (CID 10910755) is (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol is CCS[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
The InChIKey is FFRRGRSSCFQGAP-FMGWEMOISA-N. The full InChI is InChI=1S/C8H16O4S/c1-3-13-8-7(11)6(10)5(9)4(2)12-8/h4-11H,3H2,1-2H3/t4-,5+,6+,7-,8+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
(2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol has a molecular weight of 208.28 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 10910755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).