(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol

C19H20FN3O4 — CID 52948972

IUPAC(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol
SMILESO[C@@H]1[C@@H](O)[C@@H](n2cc(COCc3ccc4ccccc4c3)nn2)OC[C@H]1F
InChIInChI=1S/C19H20FN3O4/c20-16-11-27-19(18(25)17(16)24)23-8-15(21-22-23)10-26-9-12-5-6-13-3-1-2-4-14(13)7-12/h1-8,16-19,24-25H,9-11H2/t16-,17+,18-,19+/m1/s1
InChIKeyAWBJJCQMOTZHSX-HCXYKTFWSA-N
MW373.38 g/mol
LogP1.74
Rot. Bonds5

About (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol

(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol (PubChem CID 52948972) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol
PubChem CID52948972
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol
SMILESO[C@@H]1[C@@H](O)[C@@H](n2cc(COCc3ccc4ccccc4c3)nn2)OC[C@H]1F
InChIInChI=1S/C19H20FN3O4/c20-16-11-27-19(18(25)17(16)24)23-8-15(21-22-23)10-26-9-12-5-6-13-3-1-2-4-14(13)7-12/h1-8,16-19,24-25H,9-11H2/t16-,17+,18-,19+/m1/s1
InChIKeyAWBJJCQMOTZHSX-HCXYKTFWSA-N
XLogP1.74
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol (CID 52948972) is (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol is O[C@@H]1[C@@H](O)[C@@H](n2cc(COCc3ccc4ccccc4c3)nn2)OC[C@H]1F.
What is the InChIKey of (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol?
The InChIKey is AWBJJCQMOTZHSX-HCXYKTFWSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-16-11-27-19(18(25)17(16)24)23-8-15(21-22-23)10-26-9-12-5-6-13-3-1-2-4-14(13)7-12/h1-8,16-19,24-25H,9-11H2/t16-,17+,18-,19+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol?
(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol has a molecular weight of 373.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol is sourced from PubChem (CID 52948972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).