[2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
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[2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
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CAS No:
149021-83-0
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Formula:
C32H45N3O4
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Chemical Name:
[2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
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Synonyms:
4-azidophenacyl lithocholate;p-azidophenacyl 3 alpha-hydroxy-5 beta-cholan-24-oate;149021-83-0;4-Azidophenacyl lithocholate;DTXSID20933528;[2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;p-azidophenacyl 3alpha-hydroxy-5beta-cholan-24-ate;p-Azidophenacyl 3alpha-hydroxy-5beta-cholan-24-oate;2-(4-Azidophenyl)-2-oxoethyl 3-hydroxycholan-24-oate
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CAS No:
[2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Basic Attributes
535.7 g/mol
535.34100693 g/mol
Computed Properties
Molecular Weight:535.7
XLogP3:8.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:535.34100693
Monoisotopic Mass:535.34100693
Topological Polar Surface Area:78
Heavy Atom Count:39
Complexity:957
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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