(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol

C6H11FO5 — CID 176987115

IUPAC(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@](F)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-6(2-9)5(11)4(10)3(1-8)12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyJXFXBYHYKUUOKD-ZXXMMSQZSA-N
MW182.15 g/mol
LogP-2.24
Rot. Bonds2

About (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 176987115) has the molecular formula C6H11FO5 and a molecular weight of 182.15 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID176987115
Molecular FormulaC6H11FO5
Molecular Weight182.15 g/mol
Exact Mass182.06
IUPAC Name(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@](F)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-6(2-9)5(11)4(10)3(1-8)12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyJXFXBYHYKUUOKD-ZXXMMSQZSA-N
XLogP-2.24
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

CID 58682564
CID 58682564
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(2S,3S,4R,5R,6S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 10013013
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 176987115) is (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@](F)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is JXFXBYHYKUUOKD-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H11FO5/c7-6(2-9)5(11)4(10)3(1-8)12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 182.15 g/mol, XLogP of -2.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 176987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).