(2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid

C12H13FO6 — CID 101191449

IUPAC(2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1F
InChIInChI=1S/C12H13FO6/c13-7-8(14)9(15)12(19-10(7)11(16)17)18-6-4-2-1-3-5-6/h1-5,7-10,12,14-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyIQHJOCOCBKRSDT-GOVZDWNOSA-N
MW272.23 g/mol
LogP-0.07
Rot. Bonds3

About (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid

(2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid (PubChem CID 101191449) has the molecular formula C12H13FO6 and a molecular weight of 272.23 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid
PubChem CID101191449
Molecular FormulaC12H13FO6
Molecular Weight272.23 g/mol
Exact Mass272.07
IUPAC Name(2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1F
InChIInChI=1S/C12H13FO6/c13-7-8(14)9(15)12(19-10(7)11(16)17)18-6-4-2-1-3-5-6/h1-5,7-10,12,14-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyIQHJOCOCBKRSDT-GOVZDWNOSA-N
XLogP-0.07
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid with MolForge

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Related Compounds

(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
CID 26470476
(3R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
CID 133124983
(2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699837
6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 72551848
sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxane-2-carboxylic acid
CID 130476793
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
CID 172642132
(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
CID 172642131
(2S,3S,4S,5R)-6-(4-tert-butylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699617
(2S,4S,5R,6S)-6-(4-ethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 172602441
6-(4-ethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 131831705
3,4,5-trihydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]oxane-2-carboxylic acid
CID 163153902
(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
CID 23260821

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid?
The IUPAC name of (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid (CID 101191449) is (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid is O=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid?
The InChIKey is IQHJOCOCBKRSDT-GOVZDWNOSA-N. The full InChI is InChI=1S/C12H13FO6/c13-7-8(14)9(15)12(19-10(7)11(16)17)18-6-4-2-1-3-5-6/h1-5,7-10,12,14-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid?
(2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid has a molecular weight of 272.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-3-fluoro-4,5-dihydroxy-6-phenoxyoxane-2-carboxylic acid is sourced from PubChem (CID 101191449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).