Cas no 5187-84-8 (1-Methoxy-3-indolylmethyl glucosinolate)
5187-84-8 structure
Product Name:1-Methoxy-3-indolylmethyl glucosinolate
1-Methoxy-3-indolylmethyl glucosinolate Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose, 1-thio-,1-[1-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]
- 1-methoxy-3-indolylmethylglucosinolate
- MIMG
- Neoglucobrassicin
- 1-Methoxy-3-indolylmethyl glucosinolate
- 1-methoxyindol-3-ylmethylglucosinolate
- 1-S-[2-(1-methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
- Neoglucobrassicin (N-Methoxy-3-indolmethyl-GS)
- 1-S-[2-(1-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose
- beta-D-Glucopyranose, 1-thio-, 1-(1-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate)
- 1-Methoxy-3-indolylmethylglucosinolate potassium salt
- 5187-84-8(Free acid)
- 5187-84-8
- 1ST157701K
- AKOS040762104
- (((2-(1-Methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid
- CHEBI:27506
- DTXSID10966204
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
- C08424
- Q27103170
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
- ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate
-
- Inchi: 1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+/m1/s1
- InChI Key: PKKMITFKYRCCOL-JMZFCNQTSA-N
- SMILES: S(/C(/C([H])([H])C1=C([H])N(C2=C([H])C([H])=C([H])C([H])=C12)OC([H])([H])[H])=N\OS(=O)(=O)O[H])[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
Computed Properties
- Exact Mass: 477.06383
- Monoisotopic Mass: 478.07158725g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 733
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 214
- XLogP3: 0.3
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 183.1
1-Methoxy-3-indolylmethyl glucosinolate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN4636-1 mg |
Neoglucobrassicin |
5187-84-8 | 1mg |
¥2915.00 | 2022-04-26 | ||
| Aaron | AR00E19E-2.5mg |
1-methoxy-3-indolylmethylglucosinolate |
5187-84-8 | 98% | 2.5mg |
$695.00 | 2025-02-13 | |
| Aaron | AR00E19E-1mg |
1-methoxy-3-indolylmethylglucosinolate |
5187-84-8 | 98% | 1mg |
$464.00 | 2025-02-13 | |
| TargetMol Chemicals | TN4636-1 ml * 10 mm |
Neoglucobrassicin |
5187-84-8 | 1 ml * 10 mm |
¥ 21450 | 2024-07-19 | ||
| TargetMol Chemicals | TN4636-1 mg |
Neoglucobrassicin |
5187-84-8 | 98% | 1mg |
¥ 8,500 | 2023-07-10 | |
| TargetMol Chemicals | TN4636-5 mg |
Neoglucobrassicin |
5187-84-8 | 98% | 5mg |
¥ 19,500 | 2023-07-10 | |
| TargetMol Chemicals | TN4636-1 mL * 10 mM (in DMSO) |
Neoglucobrassicin |
5187-84-8 | 98% | 1 mL * 10 mM (in DMSO) |
¥ 21450 | 2023-09-15 | |
| TargetMol Chemicals | TN4636-1mg |
Neoglucobrassicin |
5187-84-8 | 1mg |
¥ 8500 | 2024-07-19 | ||
| TargetMol Chemicals | TN4636-5mg |
Neoglucobrassicin |
5187-84-8 | 5mg |
¥ 19500 | 2024-07-19 | ||
| Aaron | AR00E19E-5mg |
1-methoxy-3-indolylmethylglucosinolate |
5187-84-8 | 5mg |
$1257.00 | 2025-03-07 |
1-Methoxy-3-indolylmethyl glucosinolate Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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