(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol

C6H9FO5 — CID 67133434

IUPAC(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol
SMILESOC[C@H]1OC(O)=C(O)[C@@H](O)[C@@H]1F
InChIInChI=1S/C6H9FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-4,8-11H,1H2/t2-,3-,4+/m1/s1
InChIKeyOKKBLCNUUWOMAS-JJYYJPOSSA-N
MW180.13 g/mol
LogP-0.64
Rot. Bonds1

About (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol

(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol (PubChem CID 67133434) has the molecular formula C6H9FO5 and a molecular weight of 180.13 g/mol. Its IUPAC name is (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol.

Molecular Properties

Compound Name(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol
PubChem CID67133434
Molecular FormulaC6H9FO5
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol
SMILESOC[C@H]1OC(O)=C(O)[C@@H](O)[C@@H]1F
InChIInChI=1S/C6H9FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-4,8-11H,1H2/t2-,3-,4+/m1/s1
InChIKeyOKKBLCNUUWOMAS-JJYYJPOSSA-N
XLogP-0.64
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol?
The IUPAC name of (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol (CID 67133434) is (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol.
What is the SMILES notation for (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol?
The canonical SMILES for (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol is OC[C@H]1OC(O)=C(O)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol?
The InChIKey is OKKBLCNUUWOMAS-JJYYJPOSSA-N. The full InChI is InChI=1S/C6H9FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-4,8-11H,1H2/t2-,3-,4+/m1/s1.
What are the key properties of (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol?
(2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol has a molecular weight of 180.13 g/mol, XLogP of -0.64, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4,5,6-triol is sourced from PubChem (CID 67133434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).