[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite

C5H9FO4S — CID 67739794

IUPAC[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
SMILESOC[C@H]1SC(O)[C@H](OF)[C@@H]1O
InChIInChI=1S/C5H9FO4S/c6-10-4-3(8)2(1-7)11-5(4)9/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1
InChIKeySRVAMKGFEWHFCK-SOOFDHNKSA-N
MW184.19 g/mol
LogP-0.96
Rot. Bonds2

About [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite

[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite (PubChem CID 67739794) has the molecular formula C5H9FO4S and a molecular weight of 184.19 g/mol. Its IUPAC name is [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite.

Molecular Properties

Compound Name[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
PubChem CID67739794
Molecular FormulaC5H9FO4S
Molecular Weight184.19 g/mol
Exact Mass184.02
IUPAC Name[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
SMILESOC[C@H]1SC(O)[C@H](OF)[C@@H]1O
InChIInChI=1S/C5H9FO4S/c6-10-4-3(8)2(1-7)11-5(4)9/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1
InChIKeySRVAMKGFEWHFCK-SOOFDHNKSA-N
XLogP-0.96
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
CID 57056328
(3S,4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
CID 118119140
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
CID 102166355
[4-bromo-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl] hypofluorite
CID 143257228
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
CID 89349089
(2R,3R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)thian-4-one
CID 130891895
(3S,6S)-2-(hydroxymethyl)-6-sulfanylthiane-3,4-diol
CID 144617204
N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
CID 126705030
[(2S,3S)-3-aminothiiran-2-yl]methanol
CID 155928425
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxythian-3-yl]acetamide
CID 54078355
2-[2,3-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxythian-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 20705968
[(5S,6S)-5-(hydroxymethyl)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-6-yl]methanol
CID 122383911

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite?
The IUPAC name of [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite (CID 67739794) is [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite.
What is the SMILES notation for [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite?
The canonical SMILES for [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite is OC[C@H]1SC(O)[C@H](OF)[C@@H]1O.
What is the InChIKey of [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite?
The InChIKey is SRVAMKGFEWHFCK-SOOFDHNKSA-N. The full InChI is InChI=1S/C5H9FO4S/c6-10-4-3(8)2(1-7)11-5(4)9/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1.
What are the key properties of [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite?
[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite has a molecular weight of 184.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite is sourced from PubChem (CID 67739794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).