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Glucoconringiin

CAT: 0931-TN8026-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8026-02Size:50 mg
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CAS Number
28463-28-7
Bioactivity
Glucoconringiin, a mustard oil glucoside, can be extracted from the Cruciferae and Tropaeolaceae families. It serves as a feeding stimulant for Plutella maculipennis.
Smiles
S(C(=NOS(=O)(=O)O)CC(C)(C)O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
Molecular Formula
C11H21NO10S2
Molecular Weight
391.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate has been reported in Moringa stenopetala with data available.

CAS Number28463-28-7
PubChem CID656537
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
Molecular FormulaC11H21NO10S2
Molecular Weight391.4
XLogP-1.9
Topological Polar Surface Area220
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity545
SMILES
CC(C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/t5-,7-,8+,9-,10+/m1/s1
InChIKey
DYAQCRHEYVANDL-HOQQJHGQSA-N
Chemical Structure
2D Structure
2D structure of [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate
CAS: 28463-28-7
CID: 656537
Formula: C11H21NO10S2
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP3-1.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass391.06068821
Monoisotopic Mass391.06068821
Topological Polar Surface Area220 Ų
Heavy Atom Count24
Formal Charge0
Complexity545
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

Alternative Products

CatalogName
GTR19236166-01Glucoconringiin

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