5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C9H15FO8 — CID 59928066

IUPAC5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESO=C(O)C1(O)CC(O)C(F)C(C(O)C(O)CO)O1
InChIInChI=1S/C9H15FO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2H2,(H,15,16)
InChIKeyPYNGZJFGPJAHJU-UHFFFAOYSA-N
MW270.21 g/mol
LogP-3.04
Rot. Bonds4

About 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (PubChem CID 59928066) has the molecular formula C9H15FO8 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
PubChem CID59928066
Molecular FormulaC9H15FO8
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESO=C(O)C1(O)CC(O)C(F)C(C(O)C(O)CO)O1
InChIInChI=1S/C9H15FO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2H2,(H,15,16)
InChIKeyPYNGZJFGPJAHJU-UHFFFAOYSA-N
XLogP-3.04
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.21
LogP ≤ 5-3.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-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 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The IUPAC name of 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (CID 59928066) is 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The canonical SMILES for 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is O=C(O)C1(O)CC(O)C(F)C(C(O)C(O)CO)O1.
What is the InChIKey of 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The InChIKey is PYNGZJFGPJAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2H2,(H,15,16).
What are the key properties of 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of -3.04, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is sourced from PubChem (CID 59928066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).