6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol

C7H14O4S — CID 123678113

IUPAC6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
SMILESCSC1OC(CO)CC(O)C1O
InChIInChI=1S/C7H14O4S/c1-12-7-6(10)5(9)2-4(3-8)11-7/h4-10H,2-3H2,1H3
InChIKeyLUUGVWIAFCNUIG-UHFFFAOYSA-N
MW194.25 g/mol
LogP-0.82
Rot. Bonds2

About 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol

6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol (PubChem CID 123678113) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
PubChem CID123678113
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
SMILESCSC1OC(CO)CC(O)C1O
InChIInChI=1S/C7H14O4S/c1-12-7-6(10)5(9)2-4(3-8)11-7/h4-10H,2-3H2,1H3
InChIKeyLUUGVWIAFCNUIG-UHFFFAOYSA-N
XLogP-0.82
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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

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Related Compounds

ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
(2S)-6-(hydroxymethyl)-2-(octyldisulfanyl)oxane-3,4-diol
CID 88905662
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 51404259
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 67362044
2-ethynyl-6-(hydroxymethyl)oxane-3,4-diol
CID 144652826
CID 89009829
CID 89009829
3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 14331766
6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol
CID 91600064
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol (CID 123678113) is 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol is CSC1OC(CO)CC(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol?
The InChIKey is LUUGVWIAFCNUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-12-7-6(10)5(9)2-4(3-8)11-7/h4-10H,2-3H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol?
6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol has a molecular weight of 194.25 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol is sourced from PubChem (CID 123678113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).