(2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid

C₈H₁₃FO₇ — CID 54571679

About (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid

(2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 54571679) has the molecular formula C₈H₁₃FO₇ and a molecular weight of 240.18 g/mol. Its IUPAC name is (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid
• PubChem CID: 54571679
• Molecular Formula: C₈H₁₃FO₇
• Molecular Weight: 240.18 g/mol
• Exact Mass: 240.06
• IUPAC Name: (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid
• SMILES: O=C(O)[C@@]1(O)CC(O)[C@@H](F)C(C(O)CO)O1
• InChI: InChI=1S/C8H13FO7/c9-5-3(11)1-8(15,7(13)14)16-6(5)4(12)2-10/h3-6,10-12,15H,1-2H2,(H,13,14)/t3?,4?,5-,6?,8-/m1/s1
• InChIKey: ZXSOCAGSPPPRAR-LJBRGPKWSA-N
• XLogP: -2.40
• TPSA: 127.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.18
LogP ≤ 5	-2.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid (CID 54571679) is (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid is O=C(O)[C@@]1(O)CC(O)[C@@H](F)C(C(O)CO)O1.

What is the InChIKey of (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?

The InChIKey is ZXSOCAGSPPPRAR-LJBRGPKWSA-N. The full InChI is InChI=1S/C8H13FO7/c9-5-3(11)1-8(15,7(13)14)16-6(5)4(12)2-10/h3-6,10-12,15H,1-2H2,(H,13,14)/t3?,4?,5-,6?,8-/m1/s1.

What are the key properties of (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?

(2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of -2.40, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-6-(1,2-dihydroxyethyl)-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 54571679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54571679 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.