Structure

Linustatin

CAS
72229-40-4
Catalog Number
ACM72229404
Category
Other Products
Molecular Weight
409.385
Molecular Formula
C16H27NO11

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Specification

Synonyms
2-(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-2-methylpropanenitrile
IUPAC Name
2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanenitrile
Canonical SMILES
CC(C)(C#N)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O
InChI Key
FERSMFQBWVBKQK-CXTTVELOSA-N
Boiling Point
703.6ºC at 760 mmHg
Flash Point
379.3ºC
Density
1.56g/cm³
Exact Mass
409.15800
H-Bond Acceptor
12
H-Bond Donor
7
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