(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol

C6H12O5S — CID 2724400

IUPAC(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol
SMILESOC[C@H]1SC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyKNWYARBAEIMVMZ-GASJEMHNSA-N
MW196.22 g/mol
LogP-2.50
Rot. Bonds1

About (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol

(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol (PubChem CID 2724400) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol
PubChem CID2724400
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol
SMILESOC[C@H]1SC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyKNWYARBAEIMVMZ-GASJEMHNSA-N
XLogP-2.50
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol (CID 2724400) is (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol is OC[C@H]1SC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol?
The InChIKey is KNWYARBAEIMVMZ-GASJEMHNSA-N. The full InChI is InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol has a molecular weight of 196.22 g/mol, XLogP of -2.50, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-(hydroxymethyl)thiane-2,3,4,5-tetrol is sourced from PubChem (CID 2724400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).