Cas no 56878-15-0 (5'-Adenylic acid, 8-[(3-aminopropyl)amino]-)
56878-15-0 structure
Product Name:5'-Adenylic acid, 8-[(3-aminopropyl)amino]-
CAS No:56878-15-0
MF:C13H22N7O7P
MW:419.33024263382
CID:347590
PubChem ID:71444487
Update Time:2025-04-19
5'-Adenylic acid, 8-[(3-aminopropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 5'-Adenylic acid, 8-[(3-aminopropyl)amino]-
- [(2R,3S,4R,5R)-5-[6-amino-8-(3-aminopropylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- ((2R,3S,4R,5R)-5-(6-Amino-8-((3-aminopropyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
- 56878-15-0
- 8-[(3-Aminopropyl)amino]adenosine 5'-(dihydrogen phosphate)
- {[(2R,3S,4R,5R)-5-{6-amino-8-[(3-aminopropyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
- DTXSID80853258
-
- Inchi: 1S/C13H22N7O7P/c14-2-1-3-16-13-19-7-10(15)17-5-18-11(7)20(13)12-9(22)8(21)6(27-12)4-26-28(23,24)25/h5-6,8-9,12,21-22H,1-4,14H2,(H,16,19)(H2,15,17,18)(H2,23,24,25)/t6-,8-,9-,12-/m1/s1
- InChI Key: VTFFYINLPPNZSF-WOUKDFQISA-N
- SMILES: P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C3=C(C(N)=NC=N3)N=C2NCCCN)O1)O)O
Computed Properties
- Exact Mass: 419.13206
- Monoisotopic Mass: 419.13183306g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 571
- 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: -5.5
- Topological Polar Surface Area: 224?2
Experimental Properties
- PSA: 224.12
- LogP: -1.39890
5'-Adenylic acid, 8-[(3-aminopropyl)amino]- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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