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Tenofovir Disoproxil Dimer

CAS No.:
1093279-76-5
Catalog Number:
AG008WA4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008WA4
Chemical Name:
Tenofovir Disoproxil Dimer
CAS Number:
1093279-76-5
MDL Number:
MFCD21363857
IUPAC Name:
[[(2R)-1-[6-[[[9-[(2R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphorylmethoxy]propyl]purin-6-yl]amino]methylamino]purin-9-yl]propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
InChI:
InChI=1S/C39H60N10O20P2/c1-24(2)66-36(50)56-18-62-70(54,63-19-57-37(51)67-25(3)4)22-60-28(9)11-48-16-46-30-32(42-14-44-34(30)48)40-13-41-33-31-35(45-15-43-33)49(17-47-31)12-29(10)61-23-71(55,64-20-58-38(52)68-26(5)6)65-21-59-39(53)69-27(7)8/h14-17,24-29H,11-13,18-23H2,1-10H3,(H,40,42,44)(H,41,43,45)/t28-,29-/m1/s1
InChI Key:
KRLKBWQXBSICEQ-FQLXRVMXSA-N
Properties
Complexity:
1560  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
1050.346g/mol
Formal Charge:
0
Heavy Atom Count:
71  
Hydrogen Bond Acceptor Count:
28  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
1050.907g/mol
Monoisotopic Mass:
1050.346g/mol
Rotatable Bond Count:
38  
Topological Polar Surface Area:
343A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties