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

C14H18N4O5 — CID 46885868

IUPAC(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(-c3ccccn3)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)8-4-2-3-5-15-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeyUEPQYPMKWRCKCP-MBJXGIAVSA-N
MW322.32 g/mol
LogP-1.21
Rot. Bonds4

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

(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol (PubChem CID 46885868) 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-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol
PubChem CID46885868
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(-c3ccccn3)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)8-4-2-3-5-15-8/h2-6,10-14,19-21H,7H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChIKeyUEPQYPMKWRCKCP-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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol (CID 46885868) is (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-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-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol is CO[C@@H]1O[C@H](Cn2cc(-c3ccccn3)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-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
The InChIKey is UEPQYPMKWRCKCP-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)8-4-2-3-5-15-8/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-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-pyridin-2-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-2-yltriazol-1-yl)methyl]oxane-3,4,5-triol is sourced from PubChem (CID 46885868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).