Cas no 27963-78-6 (Guanosine,7,8-dihydro-1,7-dimethyl-8-oxo- (9CI))
27963-78-6 structure
Product Name:Guanosine,7,8-dihydro-1,7-dimethyl-8-oxo- (9CI)
CAS No:27963-78-6
MF:C12H17N5O6
MW:327.293282270432
CID:283116
PubChem ID:278195
Update Time:2025-04-19
Guanosine,7,8-dihydro-1,7-dimethyl-8-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanosine,7,8-dihydro-1,7-dimethyl-8-oxo- (9CI)
- 1,7-Dimethyl-6-thioxanthin
- 1,7-dimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
- 1,7-dimethyl-8-oxo-7,8-dihydro-guanosine
- 1,7-Dimethyl-8-oxoguanosin
- 2H-Purin-2-one, 1,3,6,7-tetrahydro-1,7-dimethyl-6-thioxo-
- CTK1A8761
- 27963-78-6
- 2-Imino-1,7-dimethyl-9-pentofuranosyl-2,3,7,9-tetrahydro-1H-purine-6,8-dione
- DTXSID40950651
- NSC127518
- NSC-127518
-
- Inchi： 1S/C12H17N5O6/c1-15-5-8(14-11(13)16(2)9(5)21)17(12(15)22)10-7(20)6(19)4(3-18)23-10/h4,6-7,10,18-20H,3H2,1-2H3,(H2,13,14)
- InChI Key： DZBCTDQUESAKQL-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C(N(C)C2C(N(C)C(N)=NC1=2)=O)=O)O)O
Computed Properties
- Exact Mass: 327.11800
- Monoisotopic Mass: 327.11788328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 633
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.2
- Topological Polar Surface Area: 152?2
Experimental Properties
- PSA: 157.76000
- LogP: -2.79140
Guanosine,7,8-dihydro-1,7-dimethyl-8-oxo- (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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