(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol

C19H17F6NO6 — CID 164835813

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](Oc2ccc(-c3cccc(C(F)(F)F)n3)cc2C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H17F6NO6/c20-18(21,22)9-6-8(10-2-1-3-13(26-10)19(23,24)25)4-5-11(9)31-17-16(30)15(29)14(28)12(7-27)32-17/h1-6,12,14-17,27-30H,7H2/t12-,14-,15+,16+,17+/m1/s1
InChIKeyXEKIVUUGVKMLSW-ZUOZUFPHSA-N
MW469.33 g/mol
LogP1.96
Rot. Bonds4

About (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol (PubChem CID 164835813) has the molecular formula C19H17F6NO6 and a molecular weight of 469.33 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol
PubChem CID164835813
Molecular FormulaC19H17F6NO6
Molecular Weight469.33 g/mol
Exact Mass469.10
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](Oc2ccc(-c3cccc(C(F)(F)F)n3)cc2C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H17F6NO6/c20-18(21,22)9-6-8(10-2-1-3-13(26-10)19(23,24)25)4-5-11(9)31-17-16(30)15(29)14(28)12(7-27)32-17/h1-6,12,14-17,27-30H,7H2/t12-,14-,15+,16+,17+/m1/s1
InChIKeyXEKIVUUGVKMLSW-ZUOZUFPHSA-N
XLogP1.96
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

6-(4-(3-Hydroxypropoxy)-3-(trifluoromethyl)phenyl)picolinonitrile
CID 49863239
1-[6-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943251
(1S)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943275
(1R)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943276
(S)-1-(6-(4-(2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy)phenyl) pyridin-2-yl)ethane-1,2-diol
CID 117616661
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-pyridin-3-ylphenoxy)oxane-3,4,5-triol
CID 46838080
(2R,3R,4S,5S,6R)-2-[4-(5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134136077
(1S)-1-(6-(4-(4-fluoro-2-(2,2,2-trifluoro-1-hydroxyethyl)phenoxy)phenyl)pyridin-2-yl)ethane-1,2-diol
CID 117616820
2-(beta-D-Glucopyranosyloxy)-3-(3-fluoro-4-methylbenzyl)-4,6-dimethylpyridine
CID 9931218
1,1,1-Trifluoro-3-[(6-phenoxypyridin-2-yl)methoxy]-2-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 14516969
2-Fluoro-3-(5-octyl-1,3-dioxane-2-yl)-6-(4-octyloxyphenyl)pyridine
CID 19046971
1-[3,6-Dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-yl]-2,2,2-trifluoroethanol
CID 21912294

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol (CID 164835813) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](Oc2ccc(-c3cccc(C(F)(F)F)n3)cc2C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
The InChIKey is XEKIVUUGVKMLSW-ZUOZUFPHSA-N. The full InChI is InChI=1S/C19H17F6NO6/c20-18(21,22)9-6-8(10-2-1-3-13(26-10)19(23,24)25)4-5-11(9)31-17-16(30)15(29)14(28)12(7-27)32-17/h1-6,12,14-17,27-30H,7H2/t12-,14-,15+,16+,17+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol has a molecular weight of 469.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 164835813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).