[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
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[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
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CAS No:
59587-50-7
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Formula:
C23H32N8O14P2
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Chemical Name:
[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
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Synonyms:
nicotinamide-6(2-aminoethylamino)purine dinucleotide;59587-50-7;N6-(2-Aminoethyl)-NAD
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CAS No:
[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Basic Attributes
706.5 g/mol
706.15132172 g/mol
Computed Properties
Molecular Weight:706.5
XLogP3:-7.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:14
Exact Mass:706.15132172
Monoisotopic Mass:706.15132172
Topological Polar Surface Area:333
Heavy Atom Count:47
Complexity:1180
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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