Products for Research Use Only
RegisterLogin

Glucobrassicanapin potassium

CAT: 0931-T82304Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T82304Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
245550-58-7
Target
Others
Related Pathways
Others
Bioactivity
Glucobrassicanapin potassium (4-Pentenylglucosinolate potassium) is a glucosinolate found widely in plants, participating in various biological reactions in plants.
Smiles
O=S(ON=C(CCCC=C)S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)([O-])=O.[K+]
Molecular Formula
C12H20KNO9S2
Molecular Weight
425.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Potassium 1-S-((1Z)-N-(sulfonatooxy)-5-hexenimidoyl)-1-thio-beta-D-glucopyranose
CAS Number245550-58-7
PubChem CID162368217
IUPAC Namepotassium [(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhex-5-enylideneamino] sulfate
Molecular FormulaC12H20KNO9S2
Molecular Weight425.5
Topological Polar Surface Area203
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity539
SMILES
C=CCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+]
InChI
InChI=1S/C12H21NO9S2.K/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12;/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20);/q;+1/p-1/b13-8+;/t7-,9-,10+,11-,12+;/m1./s1
InChIKey
ORTNBYUDHZJOHO-DHPXDJSUSA-M
Chemical Structure
2D Structure
2D structure of Potassium 1-S-((1Z)-N-(sulfonatooxy)-5-hexenimidoyl)-1-thio-beta-D-glucopyranose
CAS: 245550-58-7
CID: 162368217
Formula: C12H20KNO9S2
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass425.02165505
Monoisotopic Mass425.02165505
Topological Polar Surface Area203 Ų
Heavy Atom Count25
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
TN8037-01Glucobrassicanapin
T71628-01Fluvastatin potassium
T70745-01Asulam-potassium
T68503-01Obicetrapib potassium
T202152-01Tifencillin potassium
TN8237-01Glucoiberin potassium
T88354-01Elinogrel potassium
T24900-01Troclosene potassium
TYD-00750Potassium Diphosphate
TN7336-01Glucobrassicin potassium

Alternative Products

CatalogName
HY-N10345Glucobrassicanapin (potassium)
MBS5823956Glucobrassicanapin potassium
VJA55058-01Glucobrassicanapin potassium salt
JH918617Glucobrassicanapin
165994-01Potassium Pyrosulfate (Potassium Disulfate)
OR1100324-01Potassium but-2-ynedioate (potassium)
C0194Potassium
3120435Aluminium potassium sulphate (Potassium alum)
P7392-01Potassium Dihydrogen Phosphate; Potassium Phosphate Monoba
HY-B2216RPotassium hydrogen L-tartrate (potassium) (Standard)

Popular Products