 Home > Encyclopedia > [(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate

[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate

[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate structure

CAS No:
87865-72-3
Formula:
C22H28N7O16P3
Chemical Name:
[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate
Synonyms:
3-aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate;AADP;Pyridinium, 3-amino-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, P'->5'-ester with 3-(2-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(2,1-i)purine, innner salt;[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate;3-Aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate;87865-72-3;Pyridinium, 3-amino-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, P'-5'-ester with 3-(2-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(2,1-i)purine, inner salt

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[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate Basic Attributes

Molecular Weight：

739.4 g/mol

Exact Mass：

739.08053882 g/mol

Characteristics

PSA：

329 Å²

Drug Information

MeSH Entry Terms：

3-aminopyridine-1,N(6)-ethenoadenine dinucleotide phosphate

Computed Properties

Molecular Weight:739.4
XLogP3:-5.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:12
Exact Mass:739.08053882
Monoisotopic Mass:739.08053882
Topological Polar Surface Area:329
Heavy Atom Count:48
Complexity:1280
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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