methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate
Modify Date: 2025-09-20 13:16:14
![methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate Structure](https://image.chemsrc.com/caspic/313/79258-13-2.png)
methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate structure
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Common Name | methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate | ||
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| CAS Number | 79258-13-2 | Molecular Weight | 758.4 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C32H38Br2O11 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C32H38Br2O11 |
|---|---|
| Molecular Weight | 758.4 |
| Exact Mass | 758.07604 |
| PSA | 160.96000 |
| LogP | 4.03050 |
| InChIKey | UVUGIVIZLLKTJL-VXQHQWBTSA-N |
| SMILES | CC(=O)O[C@@H]1[C@H](C[C@H](C([C@H]1OC(=O)C)OC(=O)C)OC2C[C@H]3[C@@H]4CCC5=C(C(=C(C=C5[C@H]4CC[C@@]3(C2=O)C)Br)O)Br)C(=O)OC |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 2 | |
CAS#:50-27-1
CAS#:1852-44-4This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,4-dibromo-16α-hydroxyestrone 16α-glucuronide triacetate methyl ester |
| methyl 2,4-dibromo-3-hydroxy-17-oxoestra-1,3,5(10)-trien-16α-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosuronate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: CAS number of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is 79258-13-2. |
| Q: What English synonyms does methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate have? |
| A: English synonyms of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate: 2,4-dibromo-16α-hydroxyestrone 16α-glucuronide triacetate methyl ester, methyl 2,4-dibromo-3-hydroxy-17-oxoestra-1,3,5(10)-trien-16α-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosuronate. |
| Q: What is the InChIKey of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: InChIKey of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is UVUGIVIZLLKTJL-VXQHQWBTSA-N. |
| Q: What is the Chinese name of 79258-13-2? |
| A: Chinese name of 79258-13-2 is 79258-13-2. |
| Q: What is the LogP of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: LogP of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is 4.03050. |
| Q: What is the English name of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: The English name of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate. |
| Q: What is the molecular weight of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: Molecular weight of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is 758.4. |
| Q: What is the molecular formula of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: Molecular formula of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is C32H38Br2O11. |
| Q: What are the downstream products of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: Related downstream products(CAS) of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate: 50-27-1;1852-44-4. |
| Q: What is the SMILES notation of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate? |
| A: SMILES notation of methyl 1-O-[2,4-dibromo-3-hydroxy-17-oxo-estra-1,3,5(10)-trien-16α-yl]-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate is CC(=O)O[C@@H]1[C@H](C[C@H](C([C@H]1OC(=O)C)OC(=O)C)OC2C[C@H]3[C@@H]4CCC5=C(C(=C(C=C5[C@H]4CC[C@@]3(C2=O)C)Br)O)Br)C(=O)OC. |