(2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol

C13H17FO6 — CID 70223591

IUPAC(2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@H](OCc2ccc(F)cc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H17FO6/c14-8-3-1-7(2-4-8)6-19-12-11(17)10(16)9(5-15)20-13(12)18/h1-4,9-13,15-18H,5-6H2/t9-,10-,11+,12-,13+/m1/s1
InChIKeyPOTVKFYOPMMJNC-LBELIVKGSA-N
MW288.27 g/mol
LogP-0.86
Rot. Bonds4

About (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol

(2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 70223591) has the molecular formula C13H17FO6 and a molecular weight of 288.27 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID70223591
Molecular FormulaC13H17FO6
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name(2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1O[C@H](O)[C@H](OCc2ccc(F)cc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H17FO6/c14-8-3-1-7(2-4-8)6-19-12-11(17)10(16)9(5-15)20-13(12)18/h1-4,9-13,15-18H,5-6H2/t9-,10-,11+,12-,13+/m1/s1
InChIKeyPOTVKFYOPMMJNC-LBELIVKGSA-N
XLogP-0.86
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3R,4S,5S,6R)-2-[2-(4-fluorophenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166634079
(2R,3R,4S,5S,6R)-2-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175930590
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
(3R,4R,5S,6R)-3,6-bis(hydroxymethyl)-5-phenylmethoxyoxane-2,4-diol
CID 15235478
2-[4-(4-fluorophenyl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 148709502
(2R,3R,4S,5R,6R)-3-(2-bromoethoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67861357
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 69266562
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol (CID 70223591) is (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1O[C@H](O)[C@H](OCc2ccc(F)cc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is POTVKFYOPMMJNC-LBELIVKGSA-N. The full InChI is InChI=1S/C13H17FO6/c14-8-3-1-7(2-4-8)6-19-12-11(17)10(16)9(5-15)20-13(12)18/h1-4,9-13,15-18H,5-6H2/t9-,10-,11+,12-,13+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 288.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-3-[(4-fluorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 70223591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).