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

C8H13FO7 — CID 135070300

IUPAC(2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@@]1(O)C[C@@H](O)[C@H](F)C([C@H](O)CO)O1
InChIInChI=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
InChIKeyZXSOCAGSPPPRAR-CSMVFPTQSA-N
MW240.18 g/mol
LogP-2.40
Rot. Bonds3

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

(2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 135070300) has the molecular formula C8H13FO7 and a molecular weight of 240.18 g/mol. Its IUPAC name is (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID135070300
Molecular FormulaC8H13FO7
Molecular Weight240.18 g/mol
Exact Mass240.06
IUPAC Name(2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@@]1(O)C[C@@H](O)[C@H](F)C([C@H](O)CO)O1
InChIInChI=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
InChIKeyZXSOCAGSPPPRAR-CSMVFPTQSA-N
XLogP-2.40
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-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 (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid (CID 135070300) is (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid is O=C(O)[C@@]1(O)C[C@@H](O)[C@H](F)C([C@H](O)CO)O1.
What is the InChIKey of (2R,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is ZXSOCAGSPPPRAR-CSMVFPTQSA-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,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid?
(2R,4R,5S)-6-[(1R)-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,4R,5S)-6-[(1R)-1,2-dihydroxyethyl]-5-fluoro-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 135070300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).