Cas no 102783-52-8 (2'-DEOXYADENYLYL(3'5')-2'-*DEOXYADENOSIN E AMMONIUM)
102783-52-8 structure
Product Name:2'-DEOXYADENYLYL(3'5')-2'-*DEOXYADENOSIN E AMMONIUM
CAS No:102783-52-8
MF:C20H28N11O8P
MW:581.478982925415
CID:125254
Update Time:2023-04-06
2'-DEOXYADENYLYL(3'5')-2'-*DEOXYADENOSIN E AMMONIUM Chemical and Physical Properties
Names and Identifiers
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- 2'-DEOXYADENYLYL(3'5')-2'-*DEOXYADENOSIN E AMMONIUM
- 5')-2'-deoxy-, monoammonium salt (9CI)
- 2'-deoxyadenyl(3'->5')-2'-deoxycytidine ammonium salt
- 2μ-Deoxyadenylyl(3μ-5μ)-2μ-deoxyadenosine ammonium salt
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- Inchi： 1S/C20H25N10O8P.H3N/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(32)12(37-13)4-35-39(33,34)38-10-2-14(36-11(10)3-31)30-8-28-16-18(22)24-6-26-20(16)30;/h5-14,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26);1H3/t9-,10-,11+,12+,13+,14+;/m0./s1
- InChI Key： ATCCXOOQADAWCI-BOJMTGSVSA-N
- SMILES： P(=O)(O[H])(OC([H])([H])[C@]1([H])[C@]([H])(C([H])([H])[C@]([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C23)O1)O[H])O[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@]([H])(C1([H])[H])N1C([H])=NC2=C(N([H])[H])N=C([H])N=C12.N([H])([H])[H]
Computed Properties
- Exact Mass: 581.186
- Monoisotopic Mass: 581.186
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 40
- Rotatable Bond Count: 8
- Complexity: 915
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 255A^2
2'-DEOXYADENYLYL(3'5')-2'-*DEOXYADENOSIN E AMMONIUM Related Literature
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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