16606-61-4 Purity
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Specification
The molecular formula of Tenofovir diphosphate is C9H16N5O10P3.
The molecular weight of Tenofovir diphosphate is 447.17 g/mol.
The IUPAC name of Tenofovir diphosphate is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid.
The InChI of Tenofovir diphosphate is InChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1.
The Canonical SMILES of Tenofovir diphosphate is CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O.
The CAS number of Tenofovir diphosphate is 166403-66-3.
There are 5 hydrogen bond donor counts in Tenofovir diphosphate.
There are 14 hydrogen bond acceptor counts in Tenofovir diphosphate.
The topological polar surface area of Tenofovir diphosphate is 229 Ų.
There are 9 rotatable bond counts in Tenofovir diphosphate.