(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol

C12H15FO5 — CID 172642131

IUPAC(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
SMILESOCC1O[C@H](Oc2ccccc2)C(F)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H15FO5/c13-9-11(16)10(15)8(6-14)18-12(9)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8?,9?,10-,11+,12+/m1/s1
InChIKeyUKCYOUIOUNQZTH-UFJRKFNTSA-N
MW258.25 g/mol
LogP-0.16
Rot. Bonds3

About (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol

(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol (PubChem CID 172642131) has the molecular formula C12H15FO5 and a molecular weight of 258.25 g/mol. Its IUPAC name is (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
PubChem CID172642131
Molecular FormulaC12H15FO5
Molecular Weight258.25 g/mol
Exact Mass258.09
IUPAC Name(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
SMILESOCC1O[C@H](Oc2ccccc2)C(F)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H15FO5/c13-9-11(16)10(15)8(6-14)18-12(9)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8?,9?,10-,11+,12+/m1/s1
InChIKeyUKCYOUIOUNQZTH-UFJRKFNTSA-N
XLogP-0.16
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol?
The IUPAC name of (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol (CID 172642131) is (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol.
What is the SMILES notation for (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol?
The canonical SMILES for (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol is OCC1O[C@H](Oc2ccccc2)C(F)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol?
The InChIKey is UKCYOUIOUNQZTH-UFJRKFNTSA-N. The full InChI is InChI=1S/C12H15FO5/c13-9-11(16)10(15)8(6-14)18-12(9)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8?,9?,10-,11+,12+/m1/s1.
What are the key properties of (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol?
(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol has a molecular weight of 258.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol is sourced from PubChem (CID 172642131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).