TL;DR: 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt (CAS 102783-36-8) is a chemical compound with molecular formula C20H40N14O19P4 and molecular weight 904.1545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;azane
Also Known As: 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt, P1,P4-Di(adenosine-5') tetraphosphate ammonium salt, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;azane, Diadenosine 5',5'''-P(sup 1),P(sup 4)-tetraphosphate tetraammonium salt, Adenosine, 5'-(pentahydrogen tetraphosphate), 5',5'-ester with adenosine, tetraammonium salt
| Molecular Formula | C20H40N14O19P4 |
| Molecular Weight | 904.1545 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 438.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 14 |
| Exact Mass | 904.1545 Da |
| Heavy Atoms | 57 |
| Complexity | 1410.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.N.N.N.N |
| InChIKey | COBCSHRAXKIEQE-LKZCCGPLSA-N |
The XLogP value of -1.8 indicates that 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 438.0 Ų indicates high polarity, suggesting 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt has 14 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt is 102783-36-8.
The molecular formula of 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt is C20H40N14O19P4.
The molecular weight of 5'-(Pentahydrogen tetraphosphate)adenosine 5'-5'-ester with adenosine tetraammonium salt is 904.1545 g/mol.
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