Cas no 26666-45-5 (9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]-)
![9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]- structure](https://ossimg.kuujia.com/scimg/27000/26666-45-5x500.png)
26666-45-5 structure
Product Name:9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]-
CAS No:26666-45-5
MF:C10H16N5O12P3
MW:491.181624412537
CID:274718
PubChem ID:168585
Update Time:2025-04-19
9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]-
- 9H-Purin-2-amine, 9-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phophinyl)-beta-D-erythro-pentofuranosyl)-
- 9-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1,9-dihydro-2H-purin-2-imine
- 9-(2-Deoxy-5-O-(hydroxy((hydroxy(phospho nooxy)phosphinyl)oxy)phophinyl)-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
- DTXSID80949488
- 26666-45-5
-
- Inchi： 1S/C10H16N5O12P3/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,4,6-8,16H,1,3H2,(H,20,21)(H,22,23)(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1
- InChI Key： RFFKLCXZSWDRJT-XLPZGREQSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H](C[C@H](N2C=NC3C=NC(N)=NC2=3)O1)O
Computed Properties
- Exact Mass: 491.001
- Monoisotopic Mass: 491.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 769
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.8
- Topological Polar Surface Area: 259?2
Experimental Properties
- Density: 2.51
- Boiling Point: 940.5°Cat760mmHg
- Flash Point: 522.6°C
- Refractive Index: 1.874
9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
26666-45-5 (9H-Purin-2-amine,9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-erythro-pentofuranosyl]-) Related Products
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