Cas no 119447-19-7 (Adenosine, 2'-deoxy-,5'-(trihydrogen imidodiphosphate) (9CI))
119447-19-7 structure
Product Name:Adenosine, 2'-deoxy-,5'-(trihydrogen imidodiphosphate) (9CI)
CAS No:119447-19-7
MF:C10H16N6O8P2
MW:410.216962814331
CID:170310
PubChem ID:3082967
Update Time:2025-04-19
Adenosine, 2'-deoxy-,5'-(trihydrogen imidodiphosphate) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine, 2'-deoxy-,5'-(trihydrogen imidodiphosphate) (9CI)
- 2'-deoxy-5'-adenylyl imidodiphosphate
- 2'-deoxy-5'-O-{[(P,P-dihydroxyphosphorimidoyl)oxy](hydroxy)phosphoryl}adenosine
- Adenosine, 2'-deoxy-, 5'-(trihydrogen imidotriphosphate)
- Damp-pnp
- 119447-19-7
- 2/'-deoxy-5/'-adenylyl imidodiphosphate
- [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydroxyphosphinimyl hydrogen phosphate
-
- Inchi： 1S/C10H16N6O8P2/c11-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(23-7)2-22-26(20,21)24-25(12,18)19/h3-7,17H,1-2H2,(H,20,21)(H2,11,13,14)(H3,12,18,19)/t5-,6+,7+/m0/s1
- InChI Key： UVSPZBVHHGHPMC-RRKCRQDMSA-N
- SMILES： P(=O)(O)(OP(=N)(O)O)OC[C@@H]1[C@H](C[C@H](N2C=NC3C(N)=NC=NC2=3)O1)O
Computed Properties
- Exact Mass: 410.05068
- Monoisotopic Mass: 410.05048549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 608
- 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: -2
- Topological Polar Surface Area: 219?2
Experimental Properties
- PSA: 219.15
Adenosine, 2'-deoxy-,5'-(trihydrogen imidodiphosphate) (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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