methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol

C8H18O6S — CID 159923464

IUPACmethanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
SMILESCO.OC1[C@@H](OCCS)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5S.CH4O/c8-4-3-12-7(11-1-2-13)6(10)5(4)9;1-2/h4-10,13H,1-3H2;2H,1H3/t4-,5+,6?,7+;/m1./s1
InChIKeyNYSDKLZIZRZYAI-RXDKOZSFSA-N
MW242.29 g/mol
LogP-2.02
Rot. Bonds3

About methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol

methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol (PubChem CID 159923464) has the molecular formula C8H18O6S and a molecular weight of 242.29 g/mol. Its IUPAC name is methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Namemethanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
PubChem CID159923464
Molecular FormulaC8H18O6S
Molecular Weight242.29 g/mol
Exact Mass242.08
IUPAC Namemethanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
SMILESCO.OC1[C@@H](OCCS)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5S.CH4O/c8-4-3-12-7(11-1-2-13)6(10)5(4)9;1-2/h4-10,13H,1-3H2;2H,1H3/t4-,5+,6?,7+;/m1./s1
InChIKeyNYSDKLZIZRZYAI-RXDKOZSFSA-N
XLogP-2.02
TPSA99.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
CID 142369559
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2R,3R,4S,5R)-2-(3,7,11-trimethylhexadecoxy)oxane-3,4,5-triol
CID 102453424

Frequently Asked Questions

What is the IUPAC name of methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol?
The IUPAC name of methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol (CID 159923464) is methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol?
The canonical SMILES for methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol is CO.OC1[C@@H](OCCS)OC[C@@H](O)[C@@H]1O.
What is the InChIKey of methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol?
The InChIKey is NYSDKLZIZRZYAI-RXDKOZSFSA-N. The full InChI is InChI=1S/C7H14O5S.CH4O/c8-4-3-12-7(11-1-2-13)6(10)5(4)9;1-2/h4-10,13H,1-3H2;2H,1H3/t4-,5+,6?,7+;/m1./s1.
What are the key properties of methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol?
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol has a molecular weight of 242.29 g/mol, XLogP of -2.02, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 159923464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).