Scandoside
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Scandoside
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CAS No:
18842-99-4
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Formula:
C16H22O11
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Chemical Name:
Scandoside
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Synonyms:
Cyclopenta[c]pyran-4-carboxylic acid,1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-,(1S,4aS,5R,7aS)-;Scandoside;Cyclopenta[c]pyran-4-carboxylic acid,1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-,[1S-(1α,4aα,5α,7aα)]-;(1S,4aS,5R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid
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CAS No:
Characteristics
186.37000
1.73±0.1 g/cm3(Predicted)
139-143 °C
744.1±60.0 °C(Predicted)
271.741ºC
1.683
Computed Properties
Molecular Weight:390.34
XLogP3:-3.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:390.11621151
Monoisotopic Mass:390.11621151
Topological Polar Surface Area:186
Heavy Atom Count:27
Complexity:632
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes