(2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol

C14H15NO5S — CID 66650849

IUPAC(2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@@H](Oc2cccnc2-c2ccco2)SC[C@H]1O
InChIInChI=1S/C14H15NO5S/c16-8-7-21-14(13(18)12(8)17)20-10-3-1-5-15-11(10)9-4-2-6-19-9/h1-6,8,12-14,16-18H,7H2/t8-,12+,13-,14+/m1/s1
InChIKeyYRHXCJXJPKEBLU-XAGKMFGPSA-N
MW309.34 g/mol
LogP0.88
Rot. Bonds3

About (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol

(2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol (PubChem CID 66650849) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol
PubChem CID66650849
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name(2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@@H](Oc2cccnc2-c2ccco2)SC[C@H]1O
InChIInChI=1S/C14H15NO5S/c16-8-7-21-14(13(18)12(8)17)20-10-3-1-5-15-11(10)9-4-2-6-19-9/h1-6,8,12-14,16-18H,7H2/t8-,12+,13-,14+/m1/s1
InChIKeyYRHXCJXJPKEBLU-XAGKMFGPSA-N
XLogP0.88
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol (CID 66650849) is (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@@H](Oc2cccnc2-c2ccco2)SC[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol?
The InChIKey is YRHXCJXJPKEBLU-XAGKMFGPSA-N. The full InChI is InChI=1S/C14H15NO5S/c16-8-7-21-14(13(18)12(8)17)20-10-3-1-5-15-11(10)9-4-2-6-19-9/h1-6,8,12-14,16-18H,7H2/t8-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol?
(2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol has a molecular weight of 309.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-[[2-(furan-2-yl)-3-pyridinyl]oxy]thiane-3,4,5-triol is sourced from PubChem (CID 66650849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).