8-(4-bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide
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8-(4-bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide
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CAS No:
154591-46-5
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Formula:
C27H36BrN6O16P2S+
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Chemical Name:
8-(4-bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide
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Synonyms:
8-(4-bromo-2,3-dioxobutylthio)NAD;8-(4-bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide;8-BDB-TNAD;8-Bdb-tnad;8-(4-Bromo-2,3-dioxobutylthio)NAD;154591-46-5;8-(4-Bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide;Adenosine 5'-(trihydrogen diphosphate), 8-((4-bromo-2,3-dioxobutyl)thio)-, P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
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CAS No:
8-(4-bromo-2,3-dioxobutylthio)nicotinamide adenine dinucleotide Basic Attributes
874.5 g/mol
873.05671 g/mol
Computed Properties
Molecular Weight:874.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:14
Exact Mass:873.05671
Monoisotopic Mass:873.05671
Topological Polar Surface Area:383
Heavy Atom Count:53
Formal Charge:1
Complexity:1270
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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