Cas no 113960-50-2 (Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1))
113960-50-2 structure
Product Name:Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
CAS No:113960-50-2
MF:C17H29N6O11P
MW:524.419524908066
CID:197972
PubChem ID:24832745
Update Time:2025-04-19
Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
- [(2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2,5-dihydro-2-furany l]methyl dihydrogen phosphate - 6-deoxy-6-(methylamino)-D-glucito l (1:1)
- meglumine cyclic adenylate
- [(2R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate - 6-deoxy-6-(methylamino)-D-glucitol (1:1)
- Adenosine, cyclic 3',5'-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
- MEGLUMINE ADENOSINE CYCLOPHOSPHATE
- A7HJD8J7F7
- (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
- UNII-A7HJD8J7F7
- MEGLUMINE CYCLIC ADENOSINE MONOPHOSPHATE
- MEGLUMINE CAMP
- ADENOSINE 3',5'-CYCLOPHOSPHATE MEGLUMINE SALT
- [(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate;(2S,3R,4R,5R)-6-(methylamino)hexane-1,2,3,4,5-pentol
- ADENOSINE CYCLIC PHOSPHATE MEGLUMINE
- MEGLUMINE ADENOSINE CYCLOPHOSPHATE [WHO-DD]
- 113960-50-2
-
- Inchi: 1S/C10H12N5O6P.C7H17NO5/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);4-13H,2-3H2,1H3/t4-,6-,7-,10-;4-,5+,6+,7+/m10/s1
- InChI Key: HYMXALLEHXXORK-HTDNVCFESA-N
- SMILES: P1(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC=NC3=4)O2)O)O1.O[C@H]([C@H](CNC)O)[C@@H]([C@@H](CO)O)O
Computed Properties
- Exact Mass: 524.16337
- Monoisotopic Mass: 524.16319276g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 633
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 268?2
Experimental Properties
- PSA: 279.02
Adenosine, cyclic 3,5-(hydrogenphosphate), compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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