(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol

C14H15NO4S — CID 53474730

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccc(-c3cccs3)nc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H15NO4S/c16-7-10-12(17)13(18)14(19-10)8-3-4-9(15-6-8)11-2-1-5-20-11/h1-6,10,12-14,16-18H,7H2/t10-,12-,13-,14+/m1/s1
InChIKeyROIVAYYSALVIIX-ZRJCITRHSA-N
MW293.34 g/mol
LogP0.96
Rot. Bonds3

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol (PubChem CID 53474730) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol
PubChem CID53474730
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccc(-c3cccs3)nc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H15NO4S/c16-7-10-12(17)13(18)14(19-10)8-3-4-9(15-6-8)11-2-1-5-20-11/h1-6,10,12-14,16-18H,7H2/t10-,12-,13-,14+/m1/s1
InChIKeyROIVAYYSALVIIX-ZRJCITRHSA-N
XLogP0.96
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(3-thiophen-2-ylphenyl)oxolane-3,4-diol
CID 24853935
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-thiophen-3-yloxane-3,4,5-triol
CID 102451889
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129
2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)oxane-3,4,5-triol
CID 70309923
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255
(2S,3R,4R,5S,6R)-2-[4-fluoro-3-(2-phenyl-1-thiophen-2-ylethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68967851
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-hydroxy-4-[(4-thiophen-2-ylphenyl)methyl]phenyl]oxane-3,4,5-triol
CID 154638806
2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol
CID 90657770

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol (CID 53474730) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2ccc(-c3cccs3)nc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol?
The InChIKey is ROIVAYYSALVIIX-ZRJCITRHSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-7-10-12(17)13(18)14(19-10)8-3-4-9(15-6-8)11-2-1-5-20-11/h1-6,10,12-14,16-18H,7H2/t10-,12-,13-,14+/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol has a molecular weight of 293.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol is sourced from PubChem (CID 53474730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).