(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol

C11H20O6S — CID 162992486

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](O[C@H]2CCCSC2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O6S/c12-4-7-8(13)9(14)10(15)11(17-7)16-6-2-1-3-18-5-6/h6-15H,1-5H2/t6-,7+,8+,9-,10+,11+/m0/s1
InChIKeyFGCBPQOUONXDAL-OVHRRVLLSA-N
MW280.34 g/mol
LogP-1.30
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol (PubChem CID 162992486) has the molecular formula C11H20O6S and a molecular weight of 280.34 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol
PubChem CID162992486
Molecular FormulaC11H20O6S
Molecular Weight280.34 g/mol
Exact Mass280.10
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](O[C@H]2CCCSC2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O6S/c12-4-7-8(13)9(14)10(15)11(17-7)16-6-2-1-3-18-5-6/h6-15H,1-5H2/t6-,7+,8+,9-,10+,11+/m0/s1
InChIKeyFGCBPQOUONXDAL-OVHRRVLLSA-N
XLogP-1.30
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-cyclohexyloxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11774580
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(1S,2R,4R,5S)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 162937469
6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 54385408
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
CID 53393673
2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol
CID 58003051

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol (CID 162992486) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol is OC[C@H]1O[C@@H](O[C@H]2CCCSC2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol?
The InChIKey is FGCBPQOUONXDAL-OVHRRVLLSA-N. The full InChI is InChI=1S/C11H20O6S/c12-4-7-8(13)9(14)10(15)11(17-7)16-6-2-1-3-18-5-6/h6-15H,1-5H2/t6-,7+,8+,9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol has a molecular weight of 280.34 g/mol, XLogP of -1.30, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 162992486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).