(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol

C5H9FO3S — CID 54395377

IUPAC(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
SMILESOC[C@H]1SC(O)C(F)[C@@H]1O
InChIInChI=1S/C5H9FO3S/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3?,4-,5?/m1/s1
InChIKeyVJOJBWXANVDCFD-WRIDMXSSSA-N
MW168.19 g/mol
LogP-0.89
Rot. Bonds1

About (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol

(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol (PubChem CID 54395377) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol.

Molecular Properties

Compound Name(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
PubChem CID54395377
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
SMILESOC[C@H]1SC(O)C(F)[C@@H]1O
InChIInChI=1S/C5H9FO3S/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3?,4-,5?/m1/s1
InChIKeyVJOJBWXANVDCFD-WRIDMXSSSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol?
The IUPAC name of (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol (CID 54395377) is (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol.
What is the SMILES notation for (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol?
The canonical SMILES for (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol is OC[C@H]1SC(O)C(F)[C@@H]1O.
What is the InChIKey of (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol?
The InChIKey is VJOJBWXANVDCFD-WRIDMXSSSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3?,4-,5?/m1/s1.
What are the key properties of (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol?
(4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol has a molecular weight of 168.19 g/mol, XLogP of -0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol is sourced from PubChem (CID 54395377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).