[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate
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[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate
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CAS No:
94516-25-3
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Formula:
C22H26N6O13P2
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Chemical Name:
[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate
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Synonyms:
EPDAD;pyridine 1,N(6)-ethenoadenine dinucleotide;EPDAD;Pyridine 1,N(6)-ethenoadenine dinucleotide;94516-25-3
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CAS No:
[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl phosphate Basic Attributes
644.4 g/mol
644.10330890 g/mol
Computed Properties
Molecular Weight:644.4
XLogP3:-3.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:644.10330890
Monoisotopic Mass:644.10330890
Topological Polar Surface Area:256
Heavy Atom Count:43
Complexity:1070
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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