(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol

C6H12O5S — CID 130918093

IUPAC(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol
SMILESOC[C@H]1S[C@@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5S/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyBGTAQEJBEWTQED-ZXXMMSQZSA-N
MW196.22 g/mol
LogP-2.50
Rot. Bonds2

About (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol

(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol (PubChem CID 130918093) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol
PubChem CID130918093
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol
SMILESOC[C@H]1S[C@@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5S/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyBGTAQEJBEWTQED-ZXXMMSQZSA-N
XLogP-2.50
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
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 (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
CID 54199383
CID 58682558
CID 58682558
[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
CID 151184902
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)thian-4-one
CID 130891895
(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
CID 57056328
(2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141387678
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol?
The IUPAC name of (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol (CID 130918093) is (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol?
The canonical SMILES for (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol is OC[C@H]1S[C@@](O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol?
The InChIKey is BGTAQEJBEWTQED-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H12O5S/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol?
(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol has a molecular weight of 196.22 g/mol, XLogP of -2.50, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)thiolane-2,3,4-triol is sourced from PubChem (CID 130918093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).