(2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol

C7H13FO3S — CID 59796327

IUPAC(2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol
SMILESC[C@@H]1S[C@H](CO)[C@@H](O)[C@]1(O)CF
InChIInChI=1S/C7H13FO3S/c1-4-7(11,3-8)6(10)5(2-9)12-4/h4-6,9-11H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyYHVYHLOGNIEGMK-WNJXEPBRSA-N
MW196.24 g/mol
LogP-0.46
Rot. Bonds2

About (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol

(2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol (PubChem CID 59796327) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol
PubChem CID59796327
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name(2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol
SMILESC[C@@H]1S[C@H](CO)[C@@H](O)[C@]1(O)CF
InChIInChI=1S/C7H13FO3S/c1-4-7(11,3-8)6(10)5(2-9)12-4/h4-6,9-11H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyYHVYHLOGNIEGMK-WNJXEPBRSA-N
XLogP-0.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol (CID 59796327) is (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol is C[C@@H]1S[C@H](CO)[C@@H](O)[C@]1(O)CF.
What is the InChIKey of (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol?
The InChIKey is YHVYHLOGNIEGMK-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-4-7(11,3-8)6(10)5(2-9)12-4/h4-6,9-11H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol?
(2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol has a molecular weight of 196.24 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolane-3,4-diol is sourced from PubChem (CID 59796327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).