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

C5H10O4S — CID 57056328

IUPAC(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
SMILESOC[C@@H]1S[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H10O4S/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m0/s1
InChIKeyYRSNDNVRKGEOHF-QTBDOELSSA-N
MW166.20 g/mol
LogP-1.87
Rot. Bonds1

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

(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol (PubChem CID 57056328) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
PubChem CID57056328
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
SMILESOC[C@@H]1S[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H10O4S/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m0/s1
InChIKeyYRSNDNVRKGEOHF-QTBDOELSSA-N
XLogP-1.87
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
CID 118119140
[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
CID 67739794
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
CID 102166355
N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
CID 126705030
(2R,3R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)thian-4-one
CID 130891895
(2R,3S,4R)-2-(hydroxymethyl)-5-[(2S)-2-iodopropyl]thiolane-3,4-diol
CID 163826921
[(2S,3S)-3-aminothiiran-2-yl]methanol
CID 155928425
(3S,6S)-2-(hydroxymethyl)-6-sulfanylthiane-3,4-diol
CID 144617204
(1S,2S,3S,5R,6S,7R)-8-(hydroxymethyl)cyclooctane-1,2,3,4,5,6,7-heptol
CID 25258192
6-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]hexanoic acid
CID 56985329
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508
2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]-N-[2-[2-[[2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]acetyl]amino]ethylamino]ethyl]acetamide
CID 69494019

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol?
The IUPAC name of (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol (CID 57056328) is (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol.
What is the SMILES notation for (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol?
The canonical SMILES for (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol is OC[C@@H]1S[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol?
The InChIKey is YRSNDNVRKGEOHF-QTBDOELSSA-N. The full InChI is InChI=1S/C5H10O4S/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol?
(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol has a molecular weight of 166.20 g/mol, XLogP of -1.87, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol is sourced from PubChem (CID 57056328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).