Cas no 133310-22-2 (Adenosine, 5'-(hydrogentricyclo[3.3.1.13,7]dec-1-ylphosphoramidate), monosodium salt (9CI))
![Adenosine, 5'-(hydrogentricyclo[3.3.1.13,7]dec-1-ylphosphoramidate), monosodium salt (9CI) structure](https://ossimg.kuujia.com/scimg/133500/133310-22-2x500.png)
133310-22-2 structure
Product Name:Adenosine, 5'-(hydrogentricyclo[3.3.1.13,7]dec-1-ylphosphoramidate), monosodium salt (9CI)
CAS No:133310-22-2
MF:C20H28N6NaO6P
MW:502.436455726624
CID:156897
PubChem ID:23667625
Update Time:2025-04-19
Adenosine, 5'-(hydrogentricyclo[3.3.1.13,7]dec-1-ylphosphoramidate), monosodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine, 5'-(hydrogentricyclo[3.3.1.13,7]dec-1-ylphosphoramidate), monosodium salt (9CI)
- adenosine 5'-phosphor(adamantyl)amidate
- sodium,(1-adamantylamino)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
- A5'Paa
- Adenosine, 5'-(hydrogen tricyclo(3.3.1.13,7)dec-1-ylphosphoramidate), monosodium salt
- sodium 5'-O-[(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)phosphinato]adenosine
- sodium;(1-adamantylamino)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
- DTXSID40158074
- Adenosine 5/'-phosphor(adamantyl)amidate
- 133310-22-2
-
- Inchi： 1S/C20H29N6O6P.Na/c21-17-14-18(23-8-22-17)26(9-24-14)19-16(28)15(27)13(32-19)7-31-33(29,30)25-20-4-10-1-11(5-20)3-12(2-10)6-20;/h8-13,15-16,19,27-28H,1-7H2,(H2,21,22,23)(H2,25,29,30);/q;+1/p-1/t10?,11?,12?,13-,15-,16-,19-,20?;/m1./s1
- InChI Key： HRDIMZMKGRTOBX-FSPCGKLCSA-M
- SMILES： P(NC12CC3CC(CC(C3)C1)C2)(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.[Na+]
Computed Properties
- Exact Mass: 502.17084
- Monoisotopic Mass: 502.170564
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 772
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 181
Experimental Properties
- Boiling Point: 777.9°Cat760mmHg
- Flash Point: 424.2°C
- PSA: 180.7
- LogP: 2.11340
Adenosine, 5'-(hydrogentricyclo[3.3.1.13,7]dec-1-ylphosphoramidate), monosodium salt (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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