(2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C9H15FO8 — CID 11207944

IUPAC(2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESO=C(O)[C@]1(O)O[C@@H]([C@H](O)[C@H](O)CO)C[C@@H](O)[C@H]1F
InChIInChI=1S/C9H15FO8/c10-7-3(12)1-5(6(14)4(13)2-11)18-9(7,17)8(15)16/h3-7,11-14,17H,1-2H2,(H,15,16)/t3-,4-,5-,6-,7-,9-/m1/s1
InChIKeyXKICCJJSXJDDQM-KTZFPWNASA-N
MW270.21 g/mol
LogP-3.04
Rot. Bonds4

About (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 11207944) has the molecular formula C9H15FO8 and a molecular weight of 270.21 g/mol. Its IUPAC name is (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID11207944
Molecular FormulaC9H15FO8
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name(2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESO=C(O)[C@]1(O)O[C@@H]([C@H](O)[C@H](O)CO)C[C@@H](O)[C@H]1F
InChIInChI=1S/C9H15FO8/c10-7-3(12)1-5(6(14)4(13)2-11)18-9(7,17)8(15)16/h3-7,11-14,17H,1-2H2,(H,15,16)/t3-,4-,5-,6-,7-,9-/m1/s1
InChIKeyXKICCJJSXJDDQM-KTZFPWNASA-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 (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

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Related Compounds

2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 153406580
(2S,3S,4R,5R,6R)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 14101566
3-fluoro-2,4-dihydroxy-5-(2-oxohex-5-ynyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 158618131
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 59331138
(2S,4S,5S,6S)-5-amino-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 22883445
(2S,5R)-4,5-dihydroxy-2-sulfanyl-6-[(1R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 168824009
(4S,5R,6R)-2,4-dihydroxy-5-(hydroxyamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 140975112
3-fluoro-2,4,5-trimethyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 158911537
(4R,5R)-4-hydroxy-2,5-dimethyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 90347658
sodium N-[(2R,3R,4S,6S)-6-carboxy-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]ethanimidate
CID 102060492
4,5-dihydroxy-2-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 158770654
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 11207944) is (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is O=C(O)[C@]1(O)O[C@@H]([C@H](O)[C@H](O)CO)C[C@@H](O)[C@H]1F.
What is the InChIKey of (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is XKICCJJSXJDDQM-KTZFPWNASA-N. The full InChI is InChI=1S/C9H15FO8/c10-7-3(12)1-5(6(14)4(13)2-11)18-9(7,17)8(15)16/h3-7,11-14,17H,1-2H2,(H,15,16)/t3-,4-,5-,6-,7-,9-/m1/s1.
What are the key properties of (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-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 (2S,3R,4R,6R)-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 11207944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).