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

C14H18N4O5 — CID 46885908

IUPAC(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N4O5/c1-22-14-13(21)12(20)11(19)10(23-14)7-18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeySADSKWZMXUKGRE-MBJXGIAVSA-N
MW322.32 g/mol
LogP-1.21
Rot. Bonds4

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

(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol (PubChem CID 46885908) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
PubChem CID46885908
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N4O5/c1-22-14-13(21)12(20)11(19)10(23-14)7-18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeySADSKWZMXUKGRE-MBJXGIAVSA-N
XLogP-1.21
TPSA122.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
CID 11565773
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)tetrahydropyran-3,4,5-triol
CID 57397425
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol
CID 56946890
(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-pyridin-4-yltriazol-4-yl)ethoxy]oxane-3,4,5-triol
CID 57395615
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 57397427
(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,3R,4S,5R,6R)-2-methoxy-6-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]oxane-3,4,5-triol
CID 46866490
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methylsulfanyl-4-(4-pyridin-3-yltriazol-1-yl)oxane-3,5-diol
CID 11631444
LecB Inhibitor Triazoles 2g
CID 72836868
1-beta-d-Galactosyl-4-phenyl triazole
CID 11580364

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol (CID 46885908) is (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol is CO[C@@H]1O[C@H](Cn2cc(-c3cccnc3)nn2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
The InChIKey is SADSKWZMXUKGRE-MBJXGIAVSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-22-14-13(21)12(20)11(19)10(23-14)7-18-6-9(16-17-18)8-3-2-4-15-5-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol has a molecular weight of 322.32 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-3-yltriazol-1-yl)methyl]oxane-3,4,5-triol is sourced from PubChem (CID 46885908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).