Cas no 148253-84-3 (Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI))
148253-84-3 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)
CAS No:148253-84-3
MF:C11H17N5O10P2
MW:441.227703809738
CID:212815
PubChem ID:3083432
Update Time:2025-04-19
Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)
- 3'-C-Methyladenosine diphosphate
- 3-Meadp
- 5'-O-methyladenosine 3'-(trihydrogen diphosphate)
- Adenosine 5'-(trihydrogen diphosphate), 3'-C-methyl-
- 9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-5-O-methylpentofuranosyl}-9H-purin-6-amine
- 3/'-C-methyladenosine diphosphate
- 148253-84-3
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl] phosphono hydrogen phosphate
- DTXSID00933349
-
- Inchi: 1S/C11H17N5O10P2/c1-23-2-5-8(25-28(21,22)26-27(18,19)20)7(17)11(24-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
- InChI Key: DXBLUALDQQDGLM-IOSLPCCCSA-N
- SMILES: P(=O)(O)(OP(=O)(O)O)O[C@@H]1[C@@H](COC)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2
Computed Properties
- Exact Mass: 441.04521
- Monoisotopic Mass: 441.045065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 653
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _4.1
- Topological Polar Surface Area: 222
Experimental Properties
- Density: 2.25
- Boiling Point: 833.9°Cat760mmHg
- Flash Point: 458.2°C
- Refractive Index: 1.816
- PSA: 232.6
Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI) Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
148253-84-3 (Adenosine5'-(trihydrogen diphosphate), 3'-C-methyl- (9CI)) Related Products
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