(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one

C6H9FO5 — CID 72716063

IUPAC(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1F
InChIInChI=1S/C6H9FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-5,8-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKeyKGVPHZAVGSMSQV-SQOUGZDYSA-N
MW180.13 g/mol
LogP-2.04
Rot. Bonds1

About (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one

(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one (PubChem CID 72716063) has the molecular formula C6H9FO5 and a molecular weight of 180.13 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
PubChem CID72716063
Molecular FormulaC6H9FO5
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1F
InChIInChI=1S/C6H9FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-5,8-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKeyKGVPHZAVGSMSQV-SQOUGZDYSA-N
XLogP-2.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one (CID 72716063) is (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one is O=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1F.
What is the InChIKey of (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The InChIKey is KGVPHZAVGSMSQV-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H9FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-5,8-10H,1H2/t2-,3-,4+,5-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one?
(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one has a molecular weight of 180.13 g/mol, XLogP of -2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 72716063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).