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

C11H19FO6 — CID 67466196

IUPAC1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H19FO6/c1-10(2,3)9(17)11(12)8(16)7(15)6(14)5(4-13)18-11/h5-8,13-16H,4H2,1-3H3/t5-,6-,7+,8+,11?/m1/s1
InChIKeyICCRYIQNXXBXMC-IIOPNJDFSA-N
MW266.26 g/mol
LogP-1.26
Rot. Bonds2

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

1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 67466196) has the molecular formula C11H19FO6 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
PubChem CID67466196
Molecular FormulaC11H19FO6
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H19FO6/c1-10(2,3)9(17)11(12)8(16)7(15)6(14)5(4-13)18-11/h5-8,13-16H,4H2,1-3H3/t5-,6-,7+,8+,11?/m1/s1
InChIKeyICCRYIQNXXBXMC-IIOPNJDFSA-N
XLogP-1.26
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one (CID 67466196) is 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1(F)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ICCRYIQNXXBXMC-IIOPNJDFSA-N. The full InChI is InChI=1S/C11H19FO6/c1-10(2,3)9(17)11(12)8(16)7(15)6(14)5(4-13)18-11/h5-8,13-16H,4H2,1-3H3/t5-,6-,7+,8+,11?/m1/s1.
What are the key properties of 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one?
1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 266.26 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S,5S,6R)-2-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 67466196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).