Products for Research Use Only
RegisterLogin

4-Hydroxyglucobrassicin

CAT: 0013-GTR19237170-02Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19237170-02Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
The seeds of Sinapis alba L.
CAS Number
83327-20-2
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C16H19KN2O10S2
Molecular Weight
502.6
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-Hydroxyglucobrassicin

an indole glucosinolate; structure in first source

CAS Number83327-20-2
PubChem CID656561
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
Molecular FormulaC16H20N2O10S2
Molecular Weight464.5
XLogP-0.4
Topological Polar Surface Area236
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity717
SMILES
C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/t10-,13-,14+,15-,16+/m1/s1
InChIKey
CSMYCLLHRFFFLG-IRHMCKRBSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyglucobrassicin
CAS: 83327-20-2
CID: 656561
Formula: C16H20N2O10S2
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP3-0.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass464.05593719
Monoisotopic Mass464.05593719
Topological Polar Surface Area236 Ų
Heavy Atom Count30
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19266132-014,4'-Diapo-ω, ω-carotene-4,4'-dial
GTR19253498-014- (4-Bromophenyl) -4-hydroxypiperidine
GTR19224134-014,4'-Sulfinyldianiline
GTR19188175-014,4'-Dicyanostilbene
GTR19175567-014,4'-Iminodiphenol
GTR192512054,4′-Dipyridyl
GTR19254151-014,4'-Dimethoxybenzophenone
GTR19250829-014,4'-Difluorobenzhydrylpiperazine
GTR192507824,4-Difluorobenzhydrol
GTR192505964,4'-Dihydroxybiphenyl

Alternative Products

CatalogName
M32094-014-Hydroxyglucobrassicin
AR-G02441-011-Hydroxyglucobrassicin
AR-G02361-014-Hydroxyglucobrassicin Sodium Salt
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester

Popular Products