(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

C6H11FO5 — CID 25173432

IUPAC(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOCC1O[C@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2?,3-,4-,5-,6+/m1/s1/i7-1
InChIKeyZCXUVYAZINUVJD-DBIMHCSCSA-N
MW181.15 g/mol
LogP-2.24
Rot. Bonds1

About (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 25173432) has the molecular formula C6H11FO5 and a molecular weight of 181.15 g/mol. Its IUPAC name is (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID25173432
Molecular FormulaC6H11FO5
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOCC1O[C@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2?,3-,4-,5-,6+/m1/s1/i7-1
InChIKeyZCXUVYAZINUVJD-DBIMHCSCSA-N
XLogP-2.24
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 66649258
(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 71475417
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol (CID 25173432) is (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol is OCC1O[C@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is ZCXUVYAZINUVJD-DBIMHCSCSA-N. The full InChI is InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2?,3-,4-,5-,6+/m1/s1/i7-1.
What are the key properties of (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 181.15 g/mol, XLogP of -2.24, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 25173432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).