(R)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl dicarbonate

• CAS: 201341-05-1
• Catalog Number: ACM201341051-1
• Category: Organophosphorus APIs
• Molecular Weight: 519.44
• Molecular Formula: C19H30N5O10P
• Synonyms: Tenofovir disoproxil
• IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
• SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C
• InChI: InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
• InChI Key: JFVZFKDSXNQEJW-CQSZACIVSA-N
• Color: White to off-white
• Complexity: 698
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Formal Charge: 0
• H-Bond Acceptor: 14
• H-Bond Donor: 1
• Heavy Atom Count: 35
• Isomeric SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
• Physical State: Solid
• Rotatable Bond Count: 17
• Topological Polar Surface Area: 185A^2
• Undefined Atom Stereocenter Count: 0