Cas no 29193-86-0 (Adenosine,N-(1-methylethyl)-N-phenyl- (9CI))
29193-86-0 structure
Product Name:Adenosine,N-(1-methylethyl)-N-phenyl- (9CI)
CAS No:29193-86-0
MF:C19H23N5O4
MW:385.417023897171
CID:258450
PubChem ID:34507
Update Time:2025-04-19
Adenosine,N-(1-methylethyl)-N-phenyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine,N-(1-methylethyl)-N-phenyl- (9CI)
- Adenosine, N-(1-methylethyl)-N-phenyl-
- 9-Pentofuranosyl-N-phenyl-N-(propan-2-yl)-9H-purin-6-amine
- DTXSID60951781
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[phenyl(propan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol
- Isopropylphenyladenosine
- 29193-86-0
- N6-(Phenylisopropyl)-adenosine
- (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(isopropyl(phenyl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
-
- Inchi： 1S/C19H23N5O4/c1-11(2)24(12-6-4-3-5-7-12)18-14-17(20-9-21-18)23(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t13-,15-,16-,19-/m1/s1
- InChI Key： FOQCCKILBKXEHH-NVQRDWNXSA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)N(C1C=CC=CC=1)C(C)C)O)O
Computed Properties
- Exact Mass: 385.17519
- Monoisotopic Mass: 385.17500423g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 521
- 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: 2.1
- Topological Polar Surface Area: 117?2
Experimental Properties
- PSA: 116.76
Adenosine,N-(1-methylethyl)-N-phenyl- (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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