(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid

C6H8F2O6 — CID 71710910

IUPAC(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@]1(F)O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
InChIKeyNQKZMBDISJYOPD-ORELYVPDSA-N
MW214.12 g/mol
LogP-1.85
Rot. Bonds1

About (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 71710910) has the molecular formula C6H8F2O6 and a molecular weight of 214.12 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID71710910
Molecular FormulaC6H8F2O6
Molecular Weight214.12 g/mol
Exact Mass214.03
IUPAC Name(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@]1(F)O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
InChIKeyNQKZMBDISJYOPD-ORELYVPDSA-N
XLogP-1.85
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.12
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 71710910) is (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid is O=C(O)[C@]1(F)O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is NQKZMBDISJYOPD-ORELYVPDSA-N. The full InChI is InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1.
What are the key properties of (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid?
(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 214.12 g/mol, XLogP of -1.85, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 71710910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).