Basic information
- CAS
3080-47-5- Standard SMILES
COC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
IQZIUMCUDYOPQO-KVIJGQROSA-N- Molecular formula
- C20H24O10
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.13694696
Names & identifiers
- Preferred name
- Benzyl b-D-Glucopyranosiduronic Acid Methyl Ester Triacetate
- IUPAC
- methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxane-2-carboxylate
- English name
- Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester
- Molecular formula
- C20H24O10
- Molecular weight
- 424.4
Names & synonyms
3080-47-5Benzyl |A-D-Glucopyranosiduronic Acid Methyl Ester TriacetateBenzyl b-D-Glucopyranosiduronic Acid Methyl Ester Triacetatemethyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxane-2-carboxylate(2R,3R,4S,5S,6S)-2-(Benzyloxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetatePhenylmethyl ?-D-Glucopyranosiduronic Acid Methyl Ester Triacetate; Benzyl 2,3,4-tri-O-acetyl ?-D-Glucopyranosiduronic Acid Methyl EsterBenzyl beta-D-Glucopyranosiduronic Acid Methyl EsterDTXSID50443600Phenylmethyl b-D-glucopyranosiduronic acid methyl ester triacetateMB16625A-D-Glucopyranosiduronic Acid Methyl Ester TriacetateBenzyl ?-D-Glucopyranosiduronic Acid Methyl Ester Triacetate
Show more names
Benzyl β-D-Glucopyranosiduronic Acid Methyl EsterBenzyl β-D-Glucopyranosiduronic Acid Methyl Estermethyl (benzyl 2,3,4-tri-O-acetyl-β-D-glucopyranosid)uronateBenzyl 2-D-Glucopyranosiduronic Acid Methyl Ester TriacetateBenzyl β-D-Glucopyranosiduronic Acid Methyl Ester Triacetate
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 627
Physicochemical properties
- Melting point
- 136 · 136-138°C
- Boiling point
- 478 · 478.0±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Ethyl Acetate
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesProtected Glucopyranosiduronic Acid.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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