[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
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![[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/754a4367ecbc4d48ba030980b17075d0.png "[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate")
[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
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CAS No:
958779-80-1
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Formula:
C16H17N6O8P
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Chemical Name:
[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
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Synonyms:
NIACINAMIDE ADENYLATE;UNII-A96HRS08UR;A96HRS08UR;Nicotinamide adenylate;(2R,3S,4R,5R)-4-Hydroxy-2-(hydroxymethyl)-5-(6-(nicotinamido)-9H-purin-9-yl)tetrahydrofuran-3-yl dihydrogen phosphate;[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate;958779-80-1;Q27273797
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CAS No:
[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate Basic Attributes
452.32 g/mol
452.08454852 g/mol
A96HRS08UR
Computed Properties
Molecular Weight:452.32
XLogP3:-2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:452.08454852
Monoisotopic Mass:452.08454852
Topological Polar Surface Area:202
Heavy Atom Count:31
Complexity:699
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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