Cas no 59128-86-8 (6-chloropurine riboside-5'-diphosphate sodium salt)
59128-86-8 structure
Product Name:6-chloropurine riboside-5'-diphosphate sodium salt
CAS No:59128-86-8
MF:C10H10ClN4Na3O10P2
MW:512.577035427094
CID:949710
PubChem ID:155887046
Update Time:2025-04-19
6-chloropurine riboside-5'-diphosphate sodium salt Chemical and Physical Properties
Names and Identifiers
-
- 6-chloropurine riboside-5'-diphosphate sodium salt
- 6- CHLOROPURINE RIBOSIDE- 5'- O- DIPHOSPHATE ( 6-CL-PUDP )
- 6-CL-PUDP SODIUM SALT
- 59128-86-8
-
- Inchi： 1S/C10H13ClN4O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,18,19,20);;;/q;3*+1/p-3
- InChI Key： OYZDIYJSPCPFFP-UHFFFAOYSA-K
- SMILES： ClC1C2=C(N=CN=1)N(C=N2)C1C(C(C(COP(=O)([O-])OP(=O)([O-])[O-])O1)O)O.[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 511.92500
- Monoisotopic Mass: 445.98
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 641
- 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: _3.3
- Topological Polar Surface Area: 207A^2
Experimental Properties
- Density: 2.43±0.1 g/cm3(Predicted)
- Boiling Point: 824.4±75.0 °C(Predicted)
- PSA: 234.69000
- LogP: 0.63980
6-chloropurine riboside-5'-diphosphate sodium salt Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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