(2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol

C13H17FO3S — CID 167531783

IUPAC(2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol
SMILESCC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C13H17FO3S/c1-2-9-11(15)10(14)12(16)13(17-9)18-8-6-4-3-5-7-8/h3-7,9-13,15-16H,2H2,1H3/t9-,10+,11-,12-,13+/m1/s1
InChIKeyDCFPHLBTIXPCNI-MLGHIDQZSA-N
MW272.34 g/mol
LogP1.97
Rot. Bonds3

About (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol

(2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol (PubChem CID 167531783) has the molecular formula C13H17FO3S and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol
PubChem CID167531783
Molecular FormulaC13H17FO3S
Molecular Weight272.34 g/mol
Exact Mass272.09
IUPAC Name(2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol
SMILESCC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C13H17FO3S/c1-2-9-11(15)10(14)12(16)13(17-9)18-8-6-4-3-5-7-8/h3-7,9-13,15-16H,2H2,1H3/t9-,10+,11-,12-,13+/m1/s1
InChIKeyDCFPHLBTIXPCNI-MLGHIDQZSA-N
XLogP1.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol (CID 167531783) is (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol is CC[C@H]1O[C@@H](Sc2ccccc2)[C@H](O)[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol?
The InChIKey is DCFPHLBTIXPCNI-MLGHIDQZSA-N. The full InChI is InChI=1S/C13H17FO3S/c1-2-9-11(15)10(14)12(16)13(17-9)18-8-6-4-3-5-7-8/h3-7,9-13,15-16H,2H2,1H3/t9-,10+,11-,12-,13+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol?
(2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol has a molecular weight of 272.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-ethyl-4-fluoro-6-phenylsulfanyloxane-3,5-diol is sourced from PubChem (CID 167531783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).