[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite

C6H11FO6 — CID 175753100

IUPAC[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite
SMILESOCC1(O)OC[C@@H](OF)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO6/c7-13-3-1-12-6(11,2-8)5(10)4(3)9/h3-5,8-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKeyJJQNVTAYVDZQLN-VRPWFDPXSA-N
MW198.15 g/mol
LogP-2.31
Rot. Bonds2

About [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite

[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite (PubChem CID 175753100) has the molecular formula C6H11FO6 and a molecular weight of 198.15 g/mol. Its IUPAC name is [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite.

Molecular Properties

Compound Name[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite
PubChem CID175753100
Molecular FormulaC6H11FO6
Molecular Weight198.15 g/mol
Exact Mass198.05
IUPAC Name[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite
SMILESOCC1(O)OC[C@@H](OF)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO6/c7-13-3-1-12-6(11,2-8)5(10)4(3)9/h3-5,8-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKeyJJQNVTAYVDZQLN-VRPWFDPXSA-N
XLogP-2.31
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite?
The IUPAC name of [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite (CID 175753100) is [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite.
What is the SMILES notation for [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite?
The canonical SMILES for [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite is OCC1(O)OC[C@@H](OF)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite?
The InChIKey is JJQNVTAYVDZQLN-VRPWFDPXSA-N. The full InChI is InChI=1S/C6H11FO6/c7-13-3-1-12-6(11,2-8)5(10)4(3)9/h3-5,8-11H,1-2H2/t3-,4-,5+,6?/m1/s1.
What are the key properties of [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite?
[(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite has a molecular weight of 198.15 g/mol, XLogP of -2.31, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hypofluorite is sourced from PubChem (CID 175753100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).