Cas no 133967-00-7 (Adenosine,1-cyclopropyl-1,2-dihydro-2-oxo- (9CI))
133967-00-7 structure
Product Name:Adenosine,1-cyclopropyl-1,2-dihydro-2-oxo- (9CI)
CAS No:133967-00-7
MF:C13H17N5O5
MW:323.304582357407
CID:158624
PubChem ID:131693
Update Time:2025-04-19
Adenosine,1-cyclopropyl-1,2-dihydro-2-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine,1-cyclopropyl-1,2-dihydro-2-oxo- (9CI)
- 1-cyclopropylisoguanosine
- 6-amino-1-cyclopropyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one
- 1-cyclopropyl-2-oxoadenosine
- Adenosine, 1-cyclopropyl-1,2-dihydro-2-oxo-
- BN 063
- BN-063
- 6-Amino-1-cyclopropyl-9-pentofuranosyl-1,9-dihydro-2H-purin-2-one
- DTXSID50928366
- 133967-00-7
-
- Inchi： 1S/C13H17N5O5/c14-10-7-11(16-13(22)18(10)5-1-2-5)17(4-15-7)12-9(21)8(20)6(3-19)23-12/h4-6,8-9,12,19-21H,1-3,14H2/t6-,8-,9-,12-/m1/s1
- InChI Key： WHBIVTCTMMRQMU-WOUKDFQISA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C1=NC(N(C=2N)C1CC1)=O)O)O
Computed Properties
- Exact Mass: 323.12311
- Monoisotopic Mass: 323.12296866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 643
- 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: -2.2
- Topological Polar Surface Area: 144?2
Experimental Properties
- PSA: 144.21
Adenosine,1-cyclopropyl-1,2-dihydro-2-oxo- (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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