[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c7973d6cbeb4412bbf0fc5de2aac4362.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
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CAS No:
47775-00-8
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Formula:
C15H23N5O14P2
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
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Synonyms:
5'-Diphosphoribose, Adenosine;Adenosine 5' Diphosphoribose;Adenosine 5'-Diphosphoribose;Adenosine Diphosphate Ribose;Adenosine Diphosphoribose;ADP Ribose;ADP-Ribose;ADPribose;Diphosphate Ribose, Adenosine;Diphosphoribose, Adenosine;Ribose, Adenosine Diphosphate;Ribose, ADP;ADP-ribose;ADP-D-ribose;Adenosine 5'-diphosphoribose;1ihy;1szd;CHEMBL1231026;ZINC17654550;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate;C00301;((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl (((2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl)methyl) dihydrogen diphosphate;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name);[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate;47775-00-8
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CAS No:
Description
An ester formed between the aldehydic carbon of RIBOSE and the terminal phosphate of ADENOSINE DIPHOSPHATE. It is produced by the hydrolysis of nicotinamide-adenine dinucleotide (NAD) by a variety of enzymes, some of which transfer an ADP-ribosyl group to target proteins.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate Basic Attributes
559.32 g/mol
559.07167442 g/mol
Computed Properties
Molecular Weight:559.32
XLogP3:-6.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:9
Exact Mass:559.07167442
Monoisotopic Mass:559.07167442
Topological Polar Surface Area:292
Heavy Atom Count:36
Complexity:877
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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