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

C7H13FO4 — CID 89292161

IUPAC(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
SMILESC[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13FO4/c1-3-6(10)7(11)5(8)4(2-9)12-3/h3-7,9-11H,2H2,1H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeyFMXVAHISEZGNAC-XUVCUMPTSA-N
MW180.17 g/mol
LogP-1.17
Rot. Bonds1

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

(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol (PubChem CID 89292161) has the molecular formula C7H13FO4 and a molecular weight of 180.17 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
PubChem CID89292161
Molecular FormulaC7H13FO4
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
SMILESC[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13FO4/c1-3-6(10)7(11)5(8)4(2-9)12-3/h3-7,9-11H,2H2,1H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeyFMXVAHISEZGNAC-XUVCUMPTSA-N
XLogP-1.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 126576554
(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58758262
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol (CID 89292161) is (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol is C[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol?
The InChIKey is FMXVAHISEZGNAC-XUVCUMPTSA-N. The full InChI is InChI=1S/C7H13FO4/c1-3-6(10)7(11)5(8)4(2-9)12-3/h3-7,9-11H,2H2,1H3/t3-,4+,5+,6-,7-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol?
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol has a molecular weight of 180.17 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol is sourced from PubChem (CID 89292161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).