TL;DR: 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- (CAS 136105-26-5) is a chemical compound with molecular formula C9H11N6Na2O7P and molecular weight 392.02222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[(2S,3R,4R)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(oxidomethyl)-2-phosphonooxyoxetan-3-yl]methanolate
Also Known As: 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))-, 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2-(dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))-, Disodium [(2S,3R,4R)-4-(4-amino-7H-imidazo[4,5-d][1,2,3]triazin-7-yl)-2-(phosphonooxy)oxetane-2,3-diyl]dimethanolate, disodium [(2S,3R,4R)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(oxidomethyl)-2-phosphonooxyoxetan-3-yl]methanolate
| Molecular Formula | C9H11N6Na2O7P |
| Molecular Weight | 392.02222 g/mol |
| XLogP | -9.5173 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.02222 Da |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
| SMILES | C1=NC2=C(N=NN=C2N1[C@H]3[C@H]([C@@](O3)(C[O-])OP(=O)(O)O)C[O-])N.[Na+].[Na+] |
| InChIKey | CVFBTLPBZZWVOO-LUFSZRTCSA-N |
The XLogP value of -9.5173 indicates that 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- is 136105-26-5.
The molecular formula of 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- is C9H11N6Na2O7P.
The molecular weight of 2,3-Oxetanedimethanol, 4-(4-amino-7H-imidazo(4,5-d)-1,2,3-triazin-7-yl)-2- (dihydrogenphosphate), disodium salt, (2S-(2-alpha,3-beta,4-alpha))- is 392.02222 g/mol.
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