(2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol

C8H16O5S — CID 11148807

IUPAC(2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCS[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O5S/c1-2-14-8(4-10)7(12)6(11)5(3-9)13-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyLWWCVEKTXLPUFS-NGJRWZKOSA-N
MW224.28 g/mol
LogP-1.46
Rot. Bonds4

About (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol

(2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11148807) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID11148807
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name(2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCS[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O5S/c1-2-14-8(4-10)7(12)6(11)5(3-9)13-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyLWWCVEKTXLPUFS-NGJRWZKOSA-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

Analyze (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol with MolForge

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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
Neokotalanol
CID 44224254
isopropyl-beta-D-thioglucopyranoside
CID 2802070
Neoponkoranol
CID 46187831
(2R,3R,4S,5S)-6-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]hexane-1,2,3,4,5-pentol chloride
CID 46187833

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 11148807) is (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol is CCS[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is LWWCVEKTXLPUFS-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H16O5S/c1-2-14-8(4-10)7(12)6(11)5(3-9)13-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
(2S,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-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,3S,4S,5R)-2-ethylsulfanyl-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11148807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).