Cas no 93839-86-2 (5'-Adenylic acid,monoanhydride with methylenebis[phosphonic acid], tetralithium salt (9CI))
![5'-Adenylic acid,monoanhydride with methylenebis[phosphonic acid], tetralithium salt (9CI) structure](https://ossimg.kuujia.com/scimg/94000/93839-86-2x500.png)
93839-86-2 structure
Product Name:5'-Adenylic acid,monoanhydride with methylenebis[phosphonic acid], tetralithium salt (9CI)
CAS No:93839-86-2
MF:C11H14Li4N5O12P3
MW:528.940444469452
CID:817337
PubChem ID:56843671
Update Time:2025-04-19
5'-Adenylic acid,monoanhydride with methylenebis[phosphonic acid], tetralithium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Adenylic acid,monoanhydride with methylenebis[phosphonic acid], tetralithium salt (9CI)
- tetralithium,[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonatomethyl)phosphinate
- Tetralithium 9-[5-O-({[(phosphonatomethyl)phosphinato]oxy}phosphinato)pentofuranosyl]-9H-purin-6-amine
- 93839-86-2
- EINECS 298-859-1
- 5'-Adenylic acid, monoanhydride with (phosphonomethyl)phosphonic acid, tetralithium salt
- DTXSID40917623
-
- Inchi： 1S/C11H18N5O12P3.4Li/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21;;;;/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21);;;;/q;4*+1/p-4/t5-,7-,8-,11-;;;;/m1..../s1
- InChI Key： IWVKHLXASSQBKN-WHEJUCFXSA-J
- SMILES： P(=O)([O-])(OP(CP(=O)([O-])[O-])(=O)[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.[Li+].[Li+].[Li+].[Li+]
Computed Properties
- Exact Mass: 529.0491956g/mol
- Monoisotopic Mass: 529.0491956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 772
- 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: 281?2
5'-Adenylic acid,monoanhydride with methylenebis[phosphonic acid], tetralithium salt (9CI) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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