Account (2S,3S,4S,5R,6R)-6-(((1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACUGOH976
- CAS No. :
- 1500090-85-6
- Molecular Formula :
- C28H33ClO13
- Molecular Weight :
- 613.01
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
![(2S,3S,4S,5R,6R)-6-(((1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3S,4S,5R,6R)-6-(((1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-2,4-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C28H33ClO13 |
| Molecular Weight | 613.01 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@](O3)(CO)CO[C@]3(C4=CC=C(Cl)C(CC5=CC=C(OCC)C=C5)=C4)[C@@H]2O)O1)O |
| InChI Key | NCWJAFYOAQFTQX-GCGVPRHFSA-N |
| Synonym | Ertugliflozin Impuity 2;Ertugliflozin 3-O-β-D-glucuronide;Ertugliflozin Impurity 3;Ertugliflozin-3-O-β-glucuronide;β-L-Idopyranose, 1,6-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3-O-β-D-glucopyranuronosyl-5-C-(hydroxymethyl)-;Ertugliflozin 3-O--D-glucuronide |
| CAS No. | 1500090-85-6 |
Synthetic Route by SureRoute
2. ACUGOH976 Molecular Building Block Synthetic Route
(1S,2S,3S,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
(1R,2S,3S,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-1-((R)-1-hydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
(2S,3R,4S,5S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6,6-bis(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol