Cas no 83327-21-3 (4-Methoxyglucobrassicin)

4-Methoxyglucobrassicin structure
4-Methoxyglucobrassicin structure
Product Name:4-Methoxyglucobrassicin
CAS No:83327-21-3
MF:C17H22N2O10S2
MW:478.493982791901
CID:725110
PubChem ID:656563
Update Time:2024-10-27

4-Methoxyglucobrassicin Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranose, 1-thio-,1-[4-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]
    • 4-Methoxyglucobrassi
    • 4-Methoxyglucobrassicin
    • (4-Methoxy-3-indolylmethyl)glucosinolate
    • 4-Methoxyindol-3-methyl glucosinolate
    • 4-methoxy-3-indolylmethylglucosinolate
    • AKOS040761146
    • 1-S-[2-(4-methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
    • 4-methoxyindol-3-ylmethylglucosinolate
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
    • beta-D-Glucopyranose, 1-thio-, 1-(4-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate)
    • SCHEMBL2289935
    • 83327-21-3
    • CHEBI:1890
    • 4-Moimg
    • (((2-(4-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
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxy-ethanimidothioate
    • AC1LCV7G
    • DTXSID901003296
    • C08423
    • NS00094487
    • 4-Methoxy-3-indolylmethyl glucosinolate
    • Q27105519
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
    • 4-methoxyglucobrassicin(1-)
    • 4-methoxyglucobrassicin anion
    • HY-N8672
    • ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
    • CS-0148890
    • 4-methoxyindol-3-ylmethyl glucosinolate
    • Inchi： 1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/t11-,14-,15+,16-,17+/m1/s1
    • InChI Key： IIAGSABLXRZUSE-UFRBAHOGSA-N
    • SMILES： C(C1=CNC2C=CC=C(C1=2)OC)C(=NOS(O)(=O)=O)S[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Computed Properties

  • Exact Mass: 478.07158725g/mol
  • Monoisotopic Mass: 478.07158725g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • 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: 225?2
  • XLogP3: -0.1

4-Methoxyglucobrassicin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M262750-2.5mg
4-Methoxyglucobrassicin
 83327-21-3
2.5mg
 $316.00 2023-05-18
TRC
M262750-25mg
4-Methoxyglucobrassicin
 83327-21-3
25mg
 $2463.00 2023-05-18
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN3051-1 mg
4-Methoxyglucobrassicin
 83327-21-3
1mg
 ￥2915.00 2022-04-26
TargetMol Chemicals
TN3051-5 mg
4-Methoxyglucobrassicin
 83327-21-3 98%
5mg
 ￥ 15,750 2023-07-11
TargetMol Chemicals
TN3051-1 mL * 10 mM (in DMSO)
4-Methoxyglucobrassicin
 83327-21-3 98%
1 mL * 10 mM (in DMSO)
 ￥ 17350 2023-09-15
TargetMol Chemicals
TN3051-5mg
4-Methoxyglucobrassicin
 83327-21-3
5mg
 ￥ 15750 2024-07-20
TRC
M262750-100mg
4-Methoxyglucobrassicin
 83327-21-3
100mg
 $ 12800.00 2023-09-07
TargetMol Chemicals
TN3051-1 ml * 10 mm
4-Methoxyglucobrassicin
 83327-21-3
1 ml * 10 mm
 ￥ 17350 2024-07-20

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