methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate (CAS 21085-72-3) — formula C13H17BrO9, molecular weight 397.17; category organic chemicals.
| CAS Number | 21085-72-3 |
|---|---|
| Molecular Formula | C13H17BrO9 |
| Molecular Weight | 397.17 |
| LogP | 0.6 |
| Category | Organic Chemicals |
methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate is a carbon-based organic compound with CAS registry number 21085-72-3 and molecular formula C13H17BrO9 (molecular weight 397.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21085-72-3
Its molecular formula C13H17BrO9 comprises 13 C, 17 H, 1 Br, 9 O atoms.
Also known as: methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate · 三-O-乙酰基-1-溴-1-脱氧-α-D-吡喃葡萄糖醛酸甲酯
Category: organic chemicals
The CAS registry number of methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate is 21085-72-3.
Molecular formula C13H17BrO9, molecular weight 397.17.
It is also registered under: methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate, 三-O-乙酰基-1-溴-1-脱氧-α-D-吡喃葡萄糖醛酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate (CAS 21085-72-3), compiled from public chemistry databases.
| CAS Registry Number | 21085-72-3 |
|---|---|
| PubChem CID | 88785 |
| Molecular formula | C13H17BrO9 |
| IUPAC name | methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate |
| Molecular Weight | 397.17 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 396.00559 |
| Monoisotopic Mass | 396.00559 |
| Topological Polar Surface Area | 114 |
| Heavy Atom Count | 23 |
Acetobromo-alpha-D-glucuronic acid methyl ester; DTXSID401260289; alpha-D-Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate; RefChem:552370; DTXCID801690997; .alpha.-D-Glucopyranuronic acid, 1-bromo-1-deoxy-, methyl ester, triacetate; 21085-72-3; (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate; Methyl acetobromo-alpha-D-glucuronate; MFCD00061613; Acetobromo-|A-D-glucuronic acid methyl ester; AKOS016010256; H10617; methyl (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-bromooxane-2-carboxylate; C13H17BrO9; ACETOBROMO-A-D-GLUCURONIC ACID METHYL ESTER
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
methyl tri-O-acetyl-1-bromo-1-deoxy-α-D-glucopyranuronate · CAS 21085-72-3 · C13H17BrO9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.