Account 3-HC-Gluc
- Catalog No. :
- ACADOX062
- CAS No. :
- 132929-88-5
- Molecular Formula :
- C16H20N2O8
- Molecular Weight :
- 368.34
IUPAC Name:(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | 3-HC-Gluc |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C16H20N2O8 |
| Molecular Weight | 368.34 |
| SMILES | CN1[C@@](C2=CN=CC=C2)([H])C[C@H](C1=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(O)=O |
| InChI Key | WALNNKZUGHYSCT-MGKNELHOSA-N |
| Synonym | (3R,5S)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl;TRANS-3'-HYDROXYCOTININE-O-B-D-GLUCURONIDE;1-O-(trans-3-Hydroxycotinine)-b-D-glucuronide;trans-3'-Hydroxycotinine O--D-glucuronide;trans-3-hydroxycotinine beta-D-glucuronide;β-D-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl;trans-3'-Hydroxy Cotinine O-β-D-Glucuronide;1-O-(trans-3-Hydroxycotinine)-b-D-glucuronide ammonium salt |
| CAS No. | 132929-88-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACADOX062 Molecular Building Block Synthetic Route
methyl (2R,3R,4S)-3,4-dihydroxy-2-(((3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl)oxy)-3,4-dihydro-2H-pyran-6-carboxylate
Methyl (2R,4R)-3,4-dihydroxy-2-(((3S,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl)oxy)-3,4-dihydro-2H-pyran-6-carboxylate
(3AR,5R,6S,6aR)-2,2-dimethyl-5-(((R)-2-(pyridin-3-yl)pyrrolidin-1-yl)methyl)tetrahydrofuro[2,3-d][1,3]dioxol-6-ol