2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol

C8H16O5S — CID 123565446

IUPAC2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol
SMILESCSC1OC(CO)C(O)C(C)(O)C1O
InChIInChI=1S/C8H16O5S/c1-8(12)5(10)4(3-9)13-7(14-2)6(8)11/h4-7,9-12H,3H2,1-2H3
InChIKeyXTSDSJOKYZYKFQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.46
Rot. Bonds2

About 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol

2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol (PubChem CID 123565446) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol
PubChem CID123565446
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol
SMILESCSC1OC(CO)C(O)C(C)(O)C1O
InChIInChI=1S/C8H16O5S/c1-8(12)5(10)4(3-9)13-7(14-2)6(8)11/h4-7,9-12H,3H2,1-2H3
InChIKeyXTSDSJOKYZYKFQ-UHFFFAOYSA-N
XLogP-1.46
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
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

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Related Compounds

(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 58959143
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 67362044
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol
CID 51404259
(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol
CID 20660413
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 122450268
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol (CID 123565446) is 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol is CSC1OC(CO)C(O)C(C)(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol?
The InChIKey is XTSDSJOKYZYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-8(12)5(10)4(3-9)13-7(14-2)6(8)11/h4-7,9-12H,3H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol?
2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol has a molecular weight of 224.28 g/mol, XLogP of -1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-6-methylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 123565446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).