(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol

C15H20N4O6 — CID 57395615

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCc2cn(-c3ccncc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20N4O6/c20-8-11-12(21)13(22)14(23)15(25-11)24-6-3-9-7-19(18-17-9)10-1-4-16-5-2-10/h1-2,4-5,7,11-15,20-23H,3,6,8H2/t11-,12-,13+,14+,15+/m1/s1
InChIKeyZGLKUQMVEMOSLT-MRLBHPIUSA-N
MW352.35 g/mol
LogP-1.98
Rot. Bonds6

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol (PubChem CID 57395615) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol
PubChem CID57395615
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCc2cn(-c3ccncc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20N4O6/c20-8-11-12(21)13(22)14(23)15(25-11)24-6-3-9-7-19(18-17-9)10-1-4-16-5-2-10/h1-2,4-5,7,11-15,20-23H,3,6,8H2/t11-,12-,13+,14+,15+/m1/s1
InChIKeyZGLKUQMVEMOSLT-MRLBHPIUSA-N
XLogP-1.98
TPSA142.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol
CID 56946890
(2S,3S,4S,5S,6R)-2-[2-[1-(4-fluorophenyl)triazol-4-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 57392120
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 57393888
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 57393889
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-(4-nitrophenyl)triazol-4-yl]ethoxy]oxane-3,4,5-triol
CID 57400846
(3R,4S,5R,6R)-6-[[4-[[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]methyl]oxane-2,3,4,5-tetrol
CID 139496369
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxolane-3,4-diol
CID 44425905
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-2-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885335
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-3-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885373
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 46885868
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 46885908
(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
CID 133053955

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol (CID 57395615) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCCc2cn(-c3ccncc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol?
The InChIKey is ZGLKUQMVEMOSLT-MRLBHPIUSA-N. The full InChI is InChI=1S/C15H20N4O6/c20-8-11-12(21)13(22)14(23)15(25-11)24-6-3-9-7-19(18-17-9)10-1-4-16-5-2-10/h1-2,4-5,7,11-15,20-23H,3,6,8H2/t11-,12-,13+,14+,15+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol has a molecular weight of 352.35 g/mol, XLogP of -1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-(1-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 57395615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).