(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
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![(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/239c252947654f0eb5bceb847a76afa6.png "(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate")
(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
structure -
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CAS No:
150035-59-9
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Formula:
C14H18BrN2O8PS
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Chemical Name:
(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
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Synonyms:
nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate;NMNS-BOP;Nmns-bop;150035-59-9;Nicotinamide ribose 5'-O-(S-(3-bromo-2-oxopropyl))thiophosphate;DTXSID60164455;3-(Aminocarbonyl)-1-(5-O-(((3-bromo-2-oxopropyl)thio)hydroxyphosphinyl)-beta-D-ribofuranosyl)pyridinium inner salt;Pyridinium, 3-(aminocarbonyl)-1-(5-O-(((3-bromo-2-oxopropyl)thio)hydroxyphosphinyl)-beta-D-ribofuranosyl)-, inner salt
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CAS No:
(3-bromo-2-oxopropyl)sulfanyl-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate Basic Attributes
485.25 g/mol
483.97049 g/mol
DTXSID60164455
Computed Properties
Molecular Weight:485.25
XLogP3:-2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:483.97049
Monoisotopic Mass:483.97049
Topological Polar Surface Area:188
Heavy Atom Count:27
Complexity:591
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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