(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid
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(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid
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CAS No:
139026-50-9
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Formula:
C30H50O9
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Chemical Name:
(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,3-(β-D-glucopyranosyloxy)-7-hydroxy-,(3α,5β,7β)-;(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid;Ursodeoxycholic acid glucoside
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CAS No:
(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid Basic Attributes
554.7 g/mol
554.71
YK2K6N3ZVU
DTXSID80160873
Computed Properties
Molecular Weight:554.7
XLogP3:3.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:554.34548317
Monoisotopic Mass:554.34548317
Topological Polar Surface Area:157
Heavy Atom Count:39
Complexity:885
Defined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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