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

C8H16O5S — CID 11106991

IUPAC(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
InChIKeyCHAHFVCHPSPXOE-CBQIKETKSA-N
MW224.28 g/mol
LogP-1.46
Rot. Bonds3

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

(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11106991) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID11106991
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
InChIKeyCHAHFVCHPSPXOE-CBQIKETKSA-N
XLogP-1.46
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

isopropyl beta-D-thiogalactopyranoside
CID 656894
Octyl beta-D-thioglucopyranoside
CID 656909
Ethyl 1-thio-D-galactopyranoside
CID 10466198
Methyl 1-thio-beta-D-galactopyranoside
CID 10036019
Thiodigalactoside
CID 119138
n-Heptyl beta-D-thioglucoside
CID 656917
D-Glucose, diethyl dithioacetal
CID 657375
Octyl 1-thiohexopyranoside
CID 363418
Propyl Thiopropyl Alpha-D-Mannopyranoside
CID 57339138
isopropyl-beta-D-thioglucopyranoside
CID 2802070
5-Thio-alpha-D-glucopyranose
CID 5288443
(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol
CID 2724400

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11106991) is (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol is CCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CHAHFVCHPSPXOE-CBQIKETKSA-N. The full InChI is InChI=1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 224.28 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11106991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).