Account (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACCNYS834
- CAS No. :
- 267244-08-6
- Molecular Formula :
- C21H24O8
- Molecular Weight :
- 404.42
IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 404.42 |
| SMILES | OC1=CC=C(C(C)(C2=CC=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O3)O)O)O)C=C2)C)C=C1 |
| InChI Key | KHZOXXYQSBJDHB-HBWRTXEVSA-N |
| Synonym | Bisphenol A β-D-Glucuronide;Bisphenol A beta-D-glucuronide;β-D-Glucopyranosiduronic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl;(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(2-(4-hydroxyphenyl)propan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid;Bisphenol-β-D-Glucuronide;Bisphenol A β-D-Glucuronides;4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl β-D-glucopyranosiduronic acid;Bisphenol A β-D-Glucuronide/Bisphenol a glucuronide |
| CAS No. | 267244-08-6 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H303-H313-H317-H335-H360-H411
- Precautionary Statement(s)
- P201-P202-P261-P270-P271-P272-P280-P302+P352-P304+P340-P310-P363-P403+P233-P501
Synthetic Route by SureRoute
2. ACCNYS834 Molecular Building Block Synthetic Route
Bisphenol A-13C12 β-D-Glucuronide
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(p-tolyloxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(4-(2-methylheptan-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid