Products for Research Use Only

Fructose-isoleucine

CAT: 0013-GTR19266255-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266255-01Size:10 mg
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Description
Fructose-isoleucine is an Amadori compound and an aroma precursor formed during the early stages of the Maillard reaction (MR) . It can be isolated from tobacco, miso, and white wine. Fructose-isoleucine significantly induces oxidative browning and shows strong correlation with Maillard reaction products, such as maltol, furfuryl alcohol, and 5-methylfurfural, exhibiting a baked and sweet aroma. Fructose-isoleucine is applicable in the food industry and tobacco processing research.
CAS Number
87304-79-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C (N[C@@H] ([C@H] (CC) C) C (O) =O) [C@]1 (O) [C@@H] (O) [C@H] (O) [C@H] (O) CO1
Molecular Formula
C12H23NO7
Molecular Weight
293.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,3S)-3-methyl-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)pentanoic acid
CAS Number87304-79-8
PubChem CID102229193
IUPAC Name(2S,3S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic acid
Molecular FormulaC12H23NO7
Molecular Weight293.31
XLogP-3.5
Topological Polar Surface Area139
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity340
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(14)4-20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t6-,7+,8-,9+,10-,12+/m0/s1
InChIKey
ADLSFIUFBSPKJF-KZYWSPAVSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-3-methyl-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)pentanoic acid
CAS: 87304-79-8
CID: 102229193
Formula: C12H23NO7
MW: 293.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.31
XLogP3-3.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass293.14745207
Monoisotopic Mass293.14745207
Topological Polar Surface Area139 Ų
Heavy Atom Count20
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes