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Iso-Lotaustralin

CAT: 0931-TN1233-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1233-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1973415-50-7
Target
Others
Related Pathways
Others
Bioactivity
Iso-Lotaustralin is the isomer of Lotaustralin. Lotaustralin is a cyanogenic glycoside found in foods such as pili nuts, corn salad, carrots, acorns, and carobs, with potential as a dietary biomarker, and Iso-Lotaustralin belongs to the class of glycosides whose aglycone contains a cyanide group, making it significant for nutritional and toxicological studies.
Smiles
O(C(CC)(C#N)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C11H19NO6
Molecular Weight
261.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2RS)-Lotaustralin
CAS Number1973415-50-7
PubChem CID23638286
IUPAC Name2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Molecular FormulaC11H19NO6
Molecular Weight261.27
XLogP-1.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity329
SMILES
CCC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11?/m1/s1
InChIKey
WEWBWVMTOYUPHH-GXUZYPEDSA-N
Chemical Structure
2D Structure
2D structure of (2RS)-Lotaustralin
CAS: 1973415-50-7
CID: 23638286
Formula: C11H19NO6
MW: 261.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.27
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass261.12123733
Monoisotopic Mass261.12123733
Topological Polar Surface Area123 Ų
Heavy Atom Count18
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19184009-01Iso-Lotaustralin
MBS5782450-01Lotaustralin
TRC-L471250-25MG(R)-Lotaustralin
TBW01095(2RS)-Lotaustralin
AB1369(2RS) -Lotaustralin
HY-W698586-01(R) -Lotaustralin
ML36343-01Rac-Lotaustralin
453916-01Lotaustralin Tetraacetate
371094(2RS) -Lotaustralin discontinued
453915-01Lotaustralin (Mixture of Diastereomers)

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