Cas no 117723-13-4 ([5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)
![[5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate structure](https://ossimg.kuujia.com/scimg/118000/117723-13-4x500.png)
117723-13-4 structure
Product Name:[5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CAS No:117723-13-4
MF:C11H19N5O11P2
MW:459.2430
CID:5065319
PubChem ID:135460973
Update Time:2024-03-02
[5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Chemical and Physical Properties
Names and Identifiers
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- m7GDP
- [5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen
- [5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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- Inchi： 1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)
- InChI Key： QQODJOAVWUWVHJ-UHFFFAOYSA-N
- SMILES： P(=O)(O[H])(OP(=O)(O[H])O[H])OC([H])([H])C1([H])C([H])(C([H])(C([H])(N2C3=C(C(N([H])C(N([H])[H])=N3)=O)N(C([H])([H])[H])C2([H])[H])O1)O[H])O[H]
Computed Properties
- Exact Mass: 458.04780540g/mol
- Monoisotopic Mass: 458.04780540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 858
- 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
- Topological Polar Surface Area: 237
[5-(2-Amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside diphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside diphosphates
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