(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol

C6H12O4S — CID 130404269

IUPAC(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1SC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O4S/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyYCHDTHHGHDMALK-KAZBKCHUSA-N
MW180.22 g/mol
LogP-1.82
Rot. Bonds2

About (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol

(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol (PubChem CID 130404269) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol
PubChem CID130404269
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1SC[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O4S/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyYCHDTHHGHDMALK-KAZBKCHUSA-N
XLogP-1.82
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819
(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride
CID 11252380
(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol
CID 57331736
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
(1R)-1-[(2R,3S)-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56651209
(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol
CID 155565939
1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
CID 14057266
1-(thian-4-yl)ethane-1,2-diol
CID 117238988
(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3-diol
CID 101290230
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
2-(hydroxymethyl)thiane-3,5-diol
CID 130152138
1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol
CID 18740050

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol?
The IUPAC name of (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol (CID 130404269) is (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol?
The canonical SMILES for (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol is OC[C@@H](O)[C@@H]1SC[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol?
The InChIKey is YCHDTHHGHDMALK-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H12O4S/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol?
(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol has a molecular weight of 180.22 g/mol, XLogP of -1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol is sourced from PubChem (CID 130404269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).