Cas no 102366-80-3 (5'-Adenylic acid,N-(phenylmethyl)-, diammonium salt (9CI))
102366-80-3 structure
Product Name:5'-Adenylic acid,N-(phenylmethyl)-, diammonium salt (9CI)
CAS No:102366-80-3
MF:C17H26N7O7P
MW:471.404803752899
CID:157259
PubChem ID:59309
Update Time:2025-04-19
5'-Adenylic acid,N-(phenylmethyl)-, diammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Adenylic acid,N-(phenylmethyl)-, diammonium salt (9CI)
- N(sup 6)Benzyladenosine-5'-monophosphate diammonium salt
- N-Benzyl-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine--ammonia (1/2)
- 102366-80-3
- N(sup 6)Bar5P
- 5'-ADENYLIC ACID, N-BENZYL-, DIAMMONIUM SALT
- Adenosine, N-benzyl-, 5'-monophosphate, diammonium salt
- DTXSID60907405
-
- Inchi： 1S/C17H20N5O7P.2H3N/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10;;/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27);2*1H3/t11-,13-,14-,17-;;/m1../s1
- InChI Key： NMJDWJAJQXXTPT-CXKSGAPPSA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(=NC=NC2=3)NCC2C=CC=CC=2)O1)O)O.N.N
Computed Properties
- Exact Mass: 471.16338
- Monoisotopic Mass: 471.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 32
- Rotatable Bond Count: 7
- Complexity: 621
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 174A^2
Experimental Properties
- Boiling Point: 798.5°Cat760mmHg
- Flash Point: 436.7°C
- PSA: 242.08
5'-Adenylic acid,N-(phenylmethyl)-, diammonium salt (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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