Tenofovir disoproxil fumarate

• CAS: 202138-50-9
• Catalog Number: ACM202138509
• Category: Organophosphorus APIs
• Molecular Weight: 635.51
• Molecular Formula: C23H34N5O14P
• IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
• SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
• InChI: InChI=1S/C19H30N5O10P.C4H4O4/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;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1
• InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N
• Melting Point: 113-115°C
• Storage: 4°C, sealed storage, away from moisture
• Color: White to off-white
• Complexity: 817
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 1
• Formal Charge: 0
• H-Bond Acceptor: 18
• H-Bond Donor: 3
• Heavy Atom Count: 43
• Isomeric SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O
• MDL Number: MFCD12760130
• Physical State: Solid
• Rotatable Bond Count: 19
• Topological Polar Surface Area: 260A^2
• Undefined Atom Stereocenter Count: 0