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

C8H16O4S — CID 11138309

IUPAC(2S,3R,4R,5R,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-TXXZRHAASA-N
MW208.28 g/mol
LogP-0.43
Rot. Bonds2

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

(2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol (PubChem CID 11138309) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol
PubChem CID11138309
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name(2S,3R,4R,5R,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-TXXZRHAASA-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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Related Compounds

(3aS,4R,6R,7R,7aR)-6-ethylsulfanyl-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 67062942
(2R,3R,4S,5S,6R)-2-benzylsulfanyl-6-methyloxane-3,4,5-triol
CID 21310490
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol
CID 134975195
(2S,3S,4R,5S,6S)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyloxane-3,4,5-triol
CID 155883007
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
(1S,3S,4S,6S,7R,8S,10S)-6-ethylsulfanyl-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
CID 10783947
(2S,3R,4R,5R,6R)-3-amino-5-azido-2-ethylsulfanyl-6-methyloxan-4-ol
CID 132527253
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
CID 171369816
CID 171369816

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol (CID 11138309) is (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,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 (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
The InChIKey is FFRRGRSSCFQGAP-TXXZRHAASA-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 (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol?
(2S,3R,4R,5R,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 (2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 11138309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).