Cas no 78261-65-1 (5'-Adenylic acid, N-(4-aminobutyl)-)
78261-65-1 structure
Product Name:5'-Adenylic acid, N-(4-aminobutyl)-
CAS No:78261-65-1
MF:C14H23N6O7P
MW:418.342183351517
CID:534801
PubChem ID:11258605
Update Time:2025-04-19
5'-Adenylic acid, N-(4-aminobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5'-Adenylic acid, N-(4-aminobutyl)-
- [(2R,3S,4R,5R)-5-[6-(4-aminobutylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- ((2R,3S,4R,5R)-5-(6-((4-Aminobutyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
- {[(2R,3S,4R,5R)-5-{6-[(4-aminobutyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
- SCHEMBL4820076
- DTXSID60460383
- 78261-65-1
-
- Inchi： 1S/C14H23N6O7P/c15-3-1-2-4-16-12-9-13(18-6-17-12)20(7-19-9)14-11(22)10(21)8(27-14)5-26-28(23,24)25/h6-8,10-11,14,21-22H,1-5,15H2,(H,16,17,18)(H2,23,24,25)/t8-,10-,11-,14-/m1/s1
- InChI Key： SNUAPXPJVSPGRN-IDTAVKCVSA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(=NC=NC2=3)NCCCCN)O1)O)O
Computed Properties
- Exact Mass: 418.13658409g/mol
- Monoisotopic Mass: 418.13658409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 28
- Rotatable Bond Count: 9
- Complexity: 556
- 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: -5.4
- Topological Polar Surface Area: 198?2
5'-Adenylic acid, N-(4-aminobutyl)- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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