(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol

C13H15N3O6 — CID 176753109

IUPAC(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2nnc(-c3ccccn3)o2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H15N3O6/c17-5-7-8(18)9(19)10(20)11(21-7)13-16-15-12(22-13)6-3-1-2-4-14-6/h1-4,7-11,17-20H,5H2/t7-,8+,9+,10-,11-/m1/s1
InChIKeyTYMGENKDZAXGSL-ZKKRXERASA-N
MW309.28 g/mol
LogP-1.35
Rot. Bonds3

About (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (PubChem CID 176753109) has the molecular formula C13H15N3O6 and a molecular weight of 309.28 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
PubChem CID176753109
Molecular FormulaC13H15N3O6
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2nnc(-c3ccccn3)o2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H15N3O6/c17-5-7-8(18)9(19)10(20)11(21-7)13-16-15-12(22-13)6-3-1-2-4-14-6/h1-4,7-11,17-20H,5H2/t7-,8+,9+,10-,11-/m1/s1
InChIKeyTYMGENKDZAXGSL-ZKKRXERASA-N
XLogP-1.35
TPSA141.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (CID 176753109) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2nnc(-c3ccccn3)o2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The InChIKey is TYMGENKDZAXGSL-ZKKRXERASA-N. The full InChI is InChI=1S/C13H15N3O6/c17-5-7-8(18)9(19)10(20)11(21-7)13-16-15-12(22-13)6-3-1-2-4-14-6/h1-4,7-11,17-20H,5H2/t7-,8+,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol has a molecular weight of 309.28 g/mol, XLogP of -1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 176753109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).