Cas no 150678-55-0 (Adenosine,2'-deoxy-N-[(dibutylamino)methylene]-1,2-dihydro-2-oxo- (9CI))
![Adenosine,2'-deoxy-N-[(dibutylamino)methylene]-1,2-dihydro-2-oxo- (9CI) structure](https://ossimg.kuujia.com/scimg/151000/150678-55-0x500.png)
150678-55-0 structure
Product Name:Adenosine,2'-deoxy-N-[(dibutylamino)methylene]-1,2-dihydro-2-oxo- (9CI)
CAS No:150678-55-0
MF:C19H30N6O4
MW:406.479303836823
CID:99831
PubChem ID:125183229
Update Time:2025-04-18
Adenosine,2'-deoxy-N-[(dibutylamino)methylene]-1,2-dihydro-2-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine,2'-deoxy-N-[(dibutylamino)methylene]-1,2-dihydro-2-oxo- (9CI)
- N6-(DIISOBUTYLAMINOMETHYLIDENE)-2'-DEOXYISOGUANOSINE
- 150678-55-0
- (E)-N'-(9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-3,9-dihydro-2H-purin-6-yl)-N,N-diisobutylformimidamide
- N'-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1H-purin-6-yl]-N,N-bis(2-methylpropyl)methanimidamide
-
- Inchi： 1S/C19H30N6O4/c1-11(2)6-24(7-12(3)4)9-21-17-16-18(23-19(28)22-17)25(10-20-16)15-5-13(27)14(8-26)29-15/h9-15,26-27H,5-8H2,1-4H3,(H,22,23,28)/t13-,14+,15+/m0/s1
- InChI Key： IACKLMZRCQEVJD-RRFJBIMHSA-N
- SMILES： O1[C@H](CO)[C@H](C[C@@H]1N1C=NC2=C(N=CN(CC(C)C)CC(C)C)NC(N=C12)=O)O
Computed Properties
- Exact Mass: 406.23300
- Monoisotopic Mass: 406.23285346g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 735
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 128.86000
- LogP: 1.03410
Adenosine,2'-deoxy-N-[(dibutylamino)methylene]-1,2-dihydro-2-oxo- (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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