(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol

C17H16FN3O3 — CID 52948947

IUPAC(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol
SMILESOC1[C@H](F)CO[C@H](n2cc(-c3ccc4ccccc4c3)nn2)[C@@H]1O
InChIInChI=1S/C17H16FN3O3/c18-13-9-24-17(16(23)15(13)22)21-8-14(19-20-21)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,15-17,22-23H,9H2/t13-,15?,16-,17+/m1/s1
InChIKeyHBBQJXGIDIRHBU-HZTRTUMWSA-N
MW329.33 g/mol
LogP1.69
Rot. Bonds2

About (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol

(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol (PubChem CID 52948947) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol
PubChem CID52948947
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol
SMILESOC1[C@H](F)CO[C@H](n2cc(-c3ccc4ccccc4c3)nn2)[C@@H]1O
InChIInChI=1S/C17H16FN3O3/c18-13-9-24-17(16(23)15(13)22)21-8-14(19-20-21)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,15-17,22-23H,9H2/t13-,15?,16-,17+/m1/s1
InChIKeyHBBQJXGIDIRHBU-HZTRTUMWSA-N
XLogP1.69
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol (CID 52948947) is (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol is OC1[C@H](F)CO[C@H](n2cc(-c3ccc4ccccc4c3)nn2)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol?
The InChIKey is HBBQJXGIDIRHBU-HZTRTUMWSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-13-9-24-17(16(23)15(13)22)21-8-14(19-20-21)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,15-17,22-23H,9H2/t13-,15?,16-,17+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol?
(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol has a molecular weight of 329.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol is sourced from PubChem (CID 52948947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).