(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol

C8H16O5S — CID 134975195

IUPAC(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol
SMILESCCS[C@H]1O[C@@H](C(O)CO)C(O)C1O
InChIInChI=1S/C8H16O5S/c1-2-14-8-6(12)5(11)7(13-8)4(10)3-9/h4-12H,2-3H2,1H3/t4?,5?,6?,7-,8+/m0/s1
InChIKeyAEVJVTKPYCQIIQ-YZTJANLISA-N
MW224.28 g/mol
LogP-1.46
Rot. Bonds4

About (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol

(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol (PubChem CID 134975195) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol
PubChem CID134975195
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol
SMILESCCS[C@H]1O[C@@H](C(O)CO)C(O)C1O
InChIInChI=1S/C8H16O5S/c1-2-14-8-6(12)5(11)7(13-8)4(10)3-9/h4-12H,2-3H2,1H3/t4?,5?,6?,7-,8+/m0/s1
InChIKeyAEVJVTKPYCQIIQ-YZTJANLISA-N
XLogP-1.46
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol?
The IUPAC name of (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol (CID 134975195) is (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol.
What is the SMILES notation for (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol?
The canonical SMILES for (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol is CCS[C@H]1O[C@@H](C(O)CO)C(O)C1O.
What is the InChIKey of (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol?
The InChIKey is AEVJVTKPYCQIIQ-YZTJANLISA-N. The full InChI is InChI=1S/C8H16O5S/c1-2-14-8-6(12)5(11)7(13-8)4(10)3-9/h4-12H,2-3H2,1H3/t4?,5?,6?,7-,8+/m0/s1.
What are the key properties of (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol?
(2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol has a molecular weight of 224.28 g/mol, XLogP of -1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(1,2-dihydroxyethyl)-5-ethylsulfanyloxolane-3,4-diol is sourced from PubChem (CID 134975195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).