Cas no 52977-32-9 (5'-Adenylic acid, 8-[(6-aminohexyl)amino]-)
![5'-Adenylic acid, 8-[(6-aminohexyl)amino]- structure](https://ossimg.kuujia.com/scimg/53000/52977-32-9x500.png)
52977-32-9 structure
Product Name:5'-Adenylic acid, 8-[(6-aminohexyl)amino]-
CAS No:52977-32-9
MF:C16H28N7O7P
MW:461.409983634949
CID:358350
PubChem ID:21310445
Update Time:2025-04-19
5'-Adenylic acid, 8-[(6-aminohexyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 5'-Adenylic acid, 8-[(6-aminohexyl)amino]-
- [(2R,3S,4R,5R)-5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- ((2R,3S,4R,5R)-5-(6-Amino-8-((6-aminohexyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
- SCHEMBL8388000
- DTXSID10612193
- 8-[(6-Aminohexyl)amino]adenosine 5'-(dihydrogen phosphate)
- 52977-32-9
-
- Inchi： 1S/C16H28N7O7P/c17-5-3-1-2-4-6-19-16-22-10-13(18)20-8-21-14(10)23(16)15-12(25)11(24)9(30-15)7-29-31(26,27)28/h8-9,11-12,15,24-25H,1-7,17H2,(H,19,22)(H2,18,20,21)(H2,26,27,28)/t9-,11-,12-,15-/m1/s1
- InChI Key： GZBOSHMMYYUGMO-SDBHATRESA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C3=C(C(N)=NC=N3)N=C2NCCCCCCN)O1)O)O
Computed Properties
- Exact Mass: 461.17904
- Monoisotopic Mass: 461.17878326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 31
- Rotatable Bond Count: 11
- Complexity: 617
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5
- Topological Polar Surface Area: 224?2
Experimental Properties
- PSA: 224.12
5'-Adenylic acid, 8-[(6-aminohexyl)amino]- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
52977-32-9 (5'-Adenylic acid, 8-[(6-aminohexyl)amino]-) Related Products
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