(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol

C11H19N3O6 — CID 46862073

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
SMILESCCC(O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O6/c1-2-6(16)5-3-14(13-12-5)11-10(19)9(18)8(17)7(4-15)20-11/h3,6-11,15-19H,2,4H2,1H3/t6?,7-,8-,9+,10-,11-/m1/s1
InChIKeyUIBGLYOQXHZCQZ-RSDOQXBQSA-N
MW289.29 g/mol
LogP-2.31
Rot. Bonds4

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 46862073) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID46862073
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol
SMILESCCC(O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O6/c1-2-6(16)5-3-14(13-12-5)11-10(19)9(18)8(17)7(4-15)20-11/h3,6-11,15-19H,2,4H2,1H3/t6?,7-,8-,9+,10-,11-/m1/s1
InChIKeyUIBGLYOQXHZCQZ-RSDOQXBQSA-N
XLogP-2.31
TPSA141.09 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol (CID 46862073) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol is CCC(O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is UIBGLYOQXHZCQZ-RSDOQXBQSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-2-6(16)5-3-14(13-12-5)11-10(19)9(18)8(17)7(4-15)20-11/h3,6-11,15-19H,2,4H2,1H3/t6?,7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 289.29 g/mol, XLogP of -2.31, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(1-hydroxypropyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 46862073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).