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

C7H14O4S — CID 22212527

IUPAC(2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCS[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4S/c1-2-12-7-6(10)5(9)4(3-8)11-7/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m0/s1
InChIKeyRVYCMBBXQLACHT-YTLHQDLWSA-N
MW194.25 g/mol
LogP-0.82
Rot. Bonds3

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

(2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 22212527) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID22212527
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name(2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCS[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O4S/c1-2-12-7-6(10)5(9)4(3-8)11-7/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m0/s1
InChIKeyRVYCMBBXQLACHT-YTLHQDLWSA-N
XLogP-0.82
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methylthioribose
CID 439904
5-methylthio-D-ribose
CID 10313378
(2R,3S,4S)-1-[(2S,3S)-3-ethoxy-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 54580834
(2R,3S,4S)-1-[(2S,3S)-2,4-dihydroxy-3-methoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 54587740
(2S,3R,4R,5S)-6-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-4-ethoxyhexane-1,2,3,5-tetrol chloride
CID 127041226
(2R,3S,4S)-1-[(2S,3S)-3-(2,2-dimethylpropoxy)-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 127048314
(2R,3S,4S)-1-[(2S,3S)-2,4-dihydroxy-3-(2-methylpropoxy)butyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 127051169
(2R,3S,4S)-1-[(2S,3S)-2,4-dihydroxy-3-pentoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 127052422
(2R,3S,4S)-2-(hydroxymethyl)thiolane-3,4-diol
CID 11423684
5-S-methyl-5-thio-alpha-D-ribofuranose
CID 5289397
Ethyl b-D-thioxylopyranoside
CID 44588421
(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol
CID 44588422

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol (CID 22212527) is (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol is CCS[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is RVYCMBBXQLACHT-YTLHQDLWSA-N. The full InChI is InChI=1S/C7H14O4S/c1-2-12-7-6(10)5(9)4(3-8)11-7/h4-10H,2-3H2,1H3/t4-,5-,6+,7-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 194.25 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-ethylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 22212527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).