3-ACETYLPYRIDINEHYPOXANTHINEDINUCLEOTIDE
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3-ACETYLPYRIDINEHYPOXANTHINEDINUCLEOTIDE
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CAS No:
4002-09-9
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Formula:
C22H27N5O15P2
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Chemical Name:
3-ACETYLPYRIDINEHYPOXANTHINEDINUCLEOTIDE
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Synonyms:
3-Acetylpyridine hypoxanthine dinucleotide;[(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;3-acetyl-1-((2R,3R,4S,5R)-5-((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9(6H)-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)oxidophosphoryloxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyridinium
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CAS No:
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:664.4
XLogP3:-5.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:11
Exact Mass:664.10571420
Monoisotopic Mass:664.10571420
Topological Polar Surface Area:282
Heavy Atom Count:44
Formal Charge:1
Complexity:1210
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-ACETYLPYRIDINEHYPOXANTHINEDINUCLEOTIDE
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