methyl (phenyl 5-acetamido-4,7,8,9-tetra-o-acetyl-3,5-dideoxy-2-thio-d-glycero-d-galacto-2-nonulopyranosid)onate
methyl (phenyl 5-acetamido-4,7,8,9-tetra-o-acetyl-3,5-dideoxy-2-thio-d-glycero-d-galacto-2-nonulopyranosid)onate structure
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Common Name | methyl (phenyl 5-acetamido-4,7,8,9-tetra-o-acetyl-3,5-dideoxy-2-thio-d-glycero-d-galacto-2-nonulopyranosid)onate | ||
|---|---|---|---|---|
| CAS Number | 155155-64-9 | Molecular Weight | 583.60500 | |
| Density | 1.329g/cm3 | Boiling Point | 670.995ºC at 760 mmHg | |
| Molecular Formula | C26H33NO12S | Melting Point | 183ºC | |
| MSDS | N/A | Flash Point | 359.605ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate |
|---|---|
| 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.
| Density | 1.329g/cm3 |
|---|---|
| Boiling Point | 670.995ºC at 760 mmHg |
| Melting Point | 183ºC |
| Molecular Formula | C26H33NO12S |
| Molecular Weight | 583.60500 |
| Flash Point | 359.605ºC |
| Exact Mass | 583.17200 |
| PSA | 195.13000 |
| LogP | 1.69070 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | -121 ° (C=1, CHCl3) |
| InChIKey | NPLKOUSSDBQHEN-MVWXVPEESA-N |
| SMILES | COC(=O)C1(Sc2ccccc2)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1 |
| Storage condition | Freezer |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~87%
methyl (phenyl ... CAS#:155155-64-9 |
| Literature: Ikeda, Kiyoshi; Miyamoto, Keisuke; Sato, Masayuki Tetrahedron Letters, 2007 , vol. 48, # 42 p. 7431 - 7435 |
|
~57%
methyl (phenyl ... CAS#:155155-64-9 |
| Literature: Mukherjee, Chinmoy; Tiwari, Pallavi; Misra, Anup Kumar Tetrahedron Letters, 2006 , vol. 47, # 4 p. 441 - 445 |
|
~%
methyl (phenyl ... CAS#:155155-64-9 |
| Literature: Russian Chemical Bulletin, , vol. 52, # 7 p. 1442 - 1446 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
CAS#:73960-72-2This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 5-Acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-D-galacto-2-nonulopyranosylonate |
| Phenyl 4,7,8,9-tetra-O-acetyl-2-thio-N-acetyl-D-neuraminic acid methyl ester |
| Phenyl 4,7,8,9-tetra-O-acetyl-2-thio-N-acetylneuraminic acid methyl ester |
| I06-2697 |
| M1706 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: InChIKey of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is NPLKOUSSDBQHEN-MVWXVPEESA-N. |
| Q: What is the English name of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: The English name of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate. |
| Q: What is the melting point of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: Melting point of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is 183ºC. |
| Q: What is the molecular formula of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: Molecular formula of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is C26H33NO12S. |
| Q: What is the polar surface area (PSA) of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: Polar surface area (PSA) of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is 195.13000. |
| Q: What are the downstream products of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: Related downstream products(CAS) of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate: 73960-72-2. |
| Q: What are the storage conditions for methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: Storage conditions for methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate: Freezer. |
| Q: What is the boiling point of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: Boiling point of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is 670.995ºC at 760 mmHg. |
| Q: What is the SMILES notation of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: SMILES notation of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is COC(=O)C1(Sc2ccccc2)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1. |
| Q: What is the LogP of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate? |
| A: LogP of methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate is 1.69070. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |