Cas no 1079922-59-0 (disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;dihydrate)
![disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;dihydrate structure](https://ossimg.kuujia.com/scimg/1080000/1079922-59-0x500.png)
1079922-59-0 structure
Product Name:disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;dihydrate
CAS No:1079922-59-0
MF:C10H15N4Na2O10P
MW:428.200205087662
CID:6643526
PubChem ID:135565602
Update Time:2024-02-05
disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;dihydrate Chemical and Physical Properties
Names and Identifiers
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- disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;dihydrate
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- Inchi： 1S/C10H13N4O8P.2Na.2H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;;2*1H2/q;2*+1;;/p-2/t4-,6-,7-,10-;;;;/m1..../s1
- InChI Key： AKUOBWNGBKNLJU-KWIZKVQNSA-L
- SMILES： P(=O)([O-])([O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O.[Na+].[Na+].O.O
Computed Properties
- Exact Mass: 428.03211825g/mol
- Monoisotopic Mass: 428.03211825g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 544
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 183?2
disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;dihydrate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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