(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol

C7H14O3S2 — CID 102031500

IUPAC(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCCSS[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H14O3S2/c1-2-11-12-7-3-5(9)6(4-8)10-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyAUEVMSMBSYTRBC-XVMARJQXSA-N
MW210.32 g/mol
LogP0.86
Rot. Bonds4

About (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 102031500) has the molecular formula C7H14O3S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID102031500
Molecular FormulaC7H14O3S2
Molecular Weight210.32 g/mol
Exact Mass210.04
IUPAC Name(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCCSS[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H14O3S2/c1-2-11-12-7-3-5(9)6(4-8)10-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyAUEVMSMBSYTRBC-XVMARJQXSA-N
XLogP0.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-5-methylsulfanyloxolan-3-ol
CID 123221367
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
CID 161264357
CID 161264357
CID 59996261
CID 59996261
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694
CID 59914550
CID 59914550

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol (CID 102031500) is (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol is CCSS[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is AUEVMSMBSYTRBC-XVMARJQXSA-N. The full InChI is InChI=1S/C7H14O3S2/c1-2-11-12-7-3-5(9)6(4-8)10-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 210.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(ethyldisulfanyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 102031500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).