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

C19H20F3NO6 — CID 164835802

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol
SMILESCc1cc(-c2cccc(C(F)(F)F)n2)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H20F3NO6/c1-9-7-10(11-3-2-4-14(23-11)19(20,21)22)5-6-12(9)28-18-17(27)16(26)15(25)13(8-24)29-18/h2-7,13,15-18,24-27H,8H2,1H3/t13-,15-,16+,17+,18+/m1/s1
InChIKeyMOMJLMNEOHQCMT-MWIANEHASA-N
MW415.36 g/mol
LogP1.25
Rot. Bonds4

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

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol (PubChem CID 164835802) has the molecular formula C19H20F3NO6 and a molecular weight of 415.36 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol
PubChem CID164835802
Molecular FormulaC19H20F3NO6
Molecular Weight415.36 g/mol
Exact Mass415.12
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol
SMILESCc1cc(-c2cccc(C(F)(F)F)n2)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H20F3NO6/c1-9-7-10(11-3-2-4-14(23-11)19(20,21)22)5-6-12(9)28-18-17(27)16(26)15(25)13(8-24)29-18/h2-7,13,15-18,24-27H,8H2,1H3/t13-,15-,16+,17+,18+/m1/s1
InChIKeyMOMJLMNEOHQCMT-MWIANEHASA-N
XLogP1.25
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)methanol
CID 21912450
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
(2R,3R,4S,5S,6R)-2-[4-[(E)-2-(5,11-diethyl-2,2-difluoro-6,8,10,12-tetramethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134142787
(1S)-1-(6-(4-(4-fluoro-2-(2,2,2-trifluoro-1-hydroxyethyl)phenoxy)phenyl)pyridin-2-yl)ethane-1,2-diol
CID 117616820
(1S,2S)-1-(5,6-dimethoxy-2-pyridinyl)-2-(5-methoxy-2,2-dimethylchromen-6-yl)ethane-1,2-diol
CID 127035373
2-(beta-D-Glucopyranosyloxy)-3-(3-fluoro-4-methylbenzyl)-4,6-dimethylpyridine
CID 9931218

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol (CID 164835802) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-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-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol is Cc1cc(-c2cccc(C(F)(F)F)n2)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
The InChIKey is MOMJLMNEOHQCMT-MWIANEHASA-N. The full InChI is InChI=1S/C19H20F3NO6/c1-9-7-10(11-3-2-4-14(23-11)19(20,21)22)5-6-12(9)28-18-17(27)16(26)15(25)13(8-24)29-18/h2-7,13,15-18,24-27H,8H2,1H3/t13-,15-,16+,17+,18+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol has a molecular weight of 415.36 g/mol, XLogP of 1.25, 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-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 164835802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).