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

C6H11FO5 — CID 11469444

IUPAC(3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(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-GLCXRVCCSA-N
MW181.15 g/mol
LogP-2.24
Rot. Bonds1

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

(3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 11469444) has the molecular formula C6H11FO5 and a molecular weight of 181.15 g/mol. Its IUPAC name is (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID11469444
Molecular FormulaC6H11FO5
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name(3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(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-GLCXRVCCSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol (CID 11469444) is (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1OC(O)[C@H]([18F])[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is ZCXUVYAZINUVJD-GLCXRVCCSA-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 (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
(3R,4S,5S,6R)-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 (3R,4S,5S,6R)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 11469444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).