1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone

C8H13FO6 — CID 140533244

IUPAC1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
SMILESCC(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H13FO6/c1-3(11)8(9)7(14)6(13)5(12)4(2-10)15-8/h4-7,10,12-14H,2H2,1H3/t4-,5-,6+,7-,8?/m1/s1
InChIKeyDHLCGPZNAZFUJK-KEWYIRBNSA-N
MW224.18 g/mol
LogP-2.29
Rot. Bonds2

About 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone

1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone (PubChem CID 140533244) has the molecular formula C8H13FO6 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
PubChem CID140533244
Molecular FormulaC8H13FO6
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
SMILESCC(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H13FO6/c1-3(11)8(9)7(14)6(13)5(12)4(2-10)15-8/h4-7,10,12-14H,2H2,1H3/t4-,5-,6+,7-,8?/m1/s1
InChIKeyDHLCGPZNAZFUJK-KEWYIRBNSA-N
XLogP-2.29
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone?
The IUPAC name of 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone (CID 140533244) is 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone?
The canonical SMILES for 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone is CC(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone?
The InChIKey is DHLCGPZNAZFUJK-KEWYIRBNSA-N. The full InChI is InChI=1S/C8H13FO6/c1-3(11)8(9)7(14)6(13)5(12)4(2-10)15-8/h4-7,10,12-14H,2H2,1H3/t4-,5-,6+,7-,8?/m1/s1.
What are the key properties of 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone?
1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone has a molecular weight of 224.18 g/mol, XLogP of -2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone is sourced from PubChem (CID 140533244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).