(2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol

C13H15N3O4 — CID 90960948

IUPAC(2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol
SMILESO[C@H]1[C@H](O)[C@@H](c2cnn(-c3ccccc3)n2)OC[C@H]1O
InChIInChI=1S/C13H15N3O4/c17-10-7-20-13(12(19)11(10)18)9-6-14-16(15-9)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11-,12+,13-/m1/s1
InChIKeyMGGVBPGJXMONON-FVCCEPFGSA-N
MW277.28 g/mol
LogP-0.58
Rot. Bonds2

About (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol

(2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol (PubChem CID 90960948) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol
PubChem CID90960948
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol
SMILESO[C@H]1[C@H](O)[C@@H](c2cnn(-c3ccccc3)n2)OC[C@H]1O
InChIInChI=1S/C13H15N3O4/c17-10-7-20-13(12(19)11(10)18)9-6-14-16(15-9)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11-,12+,13-/m1/s1
InChIKeyMGGVBPGJXMONON-FVCCEPFGSA-N
XLogP-0.58
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3,4-tetrol
CID 228106
4-[2,2-Dimethyl-5-(oxiran-2-yl)-1,3-dioxolan-4-yl]-2-phenyl-triazole
CID 472887
1-[(5S)-2,2-dimethyl-5-(2-phenyltriazol-4-yl)-1,3-dioxolan-4-yl]-2-(1-piperidyl)ethanol
CID 472889
1-[2-(2-Fluorophenyl)-2H-1,2,3-triazol-4-yl]-1,2,3,4-butanetetrol
CID 606076
[(2R,3R)-2,3-diacetyloxy-3-(2-phenyltriazol-4-yl)propyl] acetate
CID 244841
2-(Hydroxymethyl)-5-(2-phenyltriazol-4-yl)oxolane-3,4-diol
CID 336717
2,3-Bis(acetyloxy)-1-[(acetyloxy)methyl]-3-(2-phenyl-2H-1,2,3-triazol-4-yl)propyl acetate
CID 347318
1,3,4-trihydroxy-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butan-2-yl hexopyranoside
CID 347317
(1R,2S,3R)-1-(2-phenyltriazol-4-yl)butane-1,2,3,4-tetrol
CID 7106948
[(2R,3R,4R)-2,3,4-triacetyloxy-4-(2-phenyltriazol-4-yl)butyl] acetate
CID 7784701
[(2S,3S,4R)-2,3,4-triacetyloxy-4-(2-phenyltriazol-4-yl)butyl] acetate
CID 7784702
[(2R,3S,4R)-2,3,4-triacetyloxy-4-(2-phenyltriazol-4-yl)butyl] acetate
CID 7784703

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol (CID 90960948) is (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol is O[C@H]1[C@H](O)[C@@H](c2cnn(-c3ccccc3)n2)OC[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol?
The InChIKey is MGGVBPGJXMONON-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-10-7-20-13(12(19)11(10)18)9-6-14-16(15-9)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol has a molecular weight of 277.28 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(2-phenyltriazol-4-yl)oxane-3,4,5-triol is sourced from PubChem (CID 90960948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).