(3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol

C7H10FN3O3 — CID 102344567

IUPAC(3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol
SMILESO[C@H]1[C@H](F)COC(n2ccnn2)[C@@H]1O
InChIInChI=1S/C7H10FN3O3/c8-4-3-14-7(6(13)5(4)12)11-2-1-9-10-11/h1-2,4-7,12-13H,3H2/t4-,5+,6-,7?/m1/s1
InChIKeyXGHJYVLVJPIRPW-JFRCYRBUSA-N
MW203.17 g/mol
LogP-1.13
Rot. Bonds1

About (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol

(3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol (PubChem CID 102344567) has the molecular formula C7H10FN3O3 and a molecular weight of 203.17 g/mol. Its IUPAC name is (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol
PubChem CID102344567
Molecular FormulaC7H10FN3O3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name(3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol
SMILESO[C@H]1[C@H](F)COC(n2ccnn2)[C@@H]1O
InChIInChI=1S/C7H10FN3O3/c8-4-3-14-7(6(13)5(4)12)11-2-1-9-10-11/h1-2,4-7,12-13H,3H2/t4-,5+,6-,7?/m1/s1
InChIKeyXGHJYVLVJPIRPW-JFRCYRBUSA-N
XLogP-1.13
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol (CID 102344567) is (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol is O[C@H]1[C@H](F)COC(n2ccnn2)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol?
The InChIKey is XGHJYVLVJPIRPW-JFRCYRBUSA-N. The full InChI is InChI=1S/C7H10FN3O3/c8-4-3-14-7(6(13)5(4)12)11-2-1-9-10-11/h1-2,4-7,12-13H,3H2/t4-,5+,6-,7?/m1/s1.
What are the key properties of (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol?
(3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol has a molecular weight of 203.17 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-fluoro-2-(triazol-1-yl)oxane-3,4-diol is sourced from PubChem (CID 102344567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).