(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid

C6H9FO7 — CID 91022433

IUPAC(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid
SMILESO=C(O)[C@@H](O)[C@@H](F)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H9FO7/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,8-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKeyDZZXHSOFNSCDIO-LLEIAEIESA-N
MW212.13 g/mol
LogP-2.42
Rot. Bonds5

About (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid

(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid (PubChem CID 91022433) has the molecular formula C6H9FO7 and a molecular weight of 212.13 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid.

Molecular Properties

Compound Name(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid
PubChem CID91022433
Molecular FormulaC6H9FO7
Molecular Weight212.13 g/mol
Exact Mass212.03
IUPAC Name(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid
SMILESO=C(O)[C@@H](O)[C@@H](F)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H9FO7/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,8-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKeyDZZXHSOFNSCDIO-LLEIAEIESA-N
XLogP-2.42
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 88745910
CID 88745910

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid?
The IUPAC name of (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid (CID 91022433) is (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid.
What is the SMILES notation for (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid?
The canonical SMILES for (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid is O=C(O)[C@@H](O)[C@@H](F)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid?
The InChIKey is DZZXHSOFNSCDIO-LLEIAEIESA-N. The full InChI is InChI=1S/C6H9FO7/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,8-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid?
(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid has a molecular weight of 212.13 g/mol, XLogP of -2.42, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid is sourced from PubChem (CID 91022433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).