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

C15H19N3O5 — CID 46885769

IUPAC(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(-c3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H19N3O5/c1-22-15-14(21)13(20)12(19)11(23-15)8-18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyISPPIGSTMGYXLK-GZBLMMOJSA-N
MW321.33 g/mol
LogP-0.60
Rot. Bonds4

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

(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol (PubChem CID 46885769) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol
PubChem CID46885769
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](Cn2cc(-c3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H19N3O5/c1-22-15-14(21)13(20)12(19)11(23-15)8-18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyISPPIGSTMGYXLK-GZBLMMOJSA-N
XLogP-0.60
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol (CID 46885769) is (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol is CO[C@@H]1O[C@H](Cn2cc(-c3ccccc3)nn2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol?
The InChIKey is ISPPIGSTMGYXLK-GZBLMMOJSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-22-15-14(21)13(20)12(19)11(23-15)8-18-7-10(16-17-18)9-5-3-2-4-6-9/h2-7,11-15,19-21H,8H2,1H3/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol has a molecular weight of 321.33 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol is sourced from PubChem (CID 46885769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).