Cas no 86527-71-1 ()
structure
Product Name:
CAS No:86527-71-1
MF:C10H11N4O14P3
MW:504.134024858475
CID:6709522
PubChem ID:135398642
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1
- InChI Key： HAEJPQIATWHALX-KQYNXXCUSA-J
- SMILES： P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 503.94846203g/mol
- Monoisotopic Mass: 503.94846203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 852
- 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: -5.5
- Topological Polar Surface Area: 280?2
Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside triphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside triphosphates
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