Products for Research Use Only
RegisterLogin

Adefovir Dipivoxil Dimer

CAT: 0572-TRC-A247530-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A247530-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
323201-05-4
Synonyms
Adefovir Dipivoxil Impurity B; 2,2-Dimethyl-propanoic Acid Methylenebis[imino-9H-purine-6,9-diyl-2,1-ethanediyloxymethylenephosphinylidynebis(oxymethylene)] Ester
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(NCNc3ncnc4c3ncn4CCOCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)ncnc12)OCOC(=O)C(C)(C)C
Molecular Formula
C41 H64 N10 O16 P2
Molecular Weight
1014.952
InChI
InChI=1S/C41H64N10O16P2/c1-38(2,3)34(52)60-22-64-68(56,65-23-61-35(53)39(4,5)6)26-58-15-13-50-20-48-28-30(44-18-46-32(28)50)42-17-43-31-29-33(47-19-45-31)51(21-49-29)14-16-59-27-69(57,66-24-62-36(54)40(7,8)9)67-25-63-37(55)41(10,11)12/h18-21H,13-17,22-27H2,1-12H3,(H,42,44,46)(H,43,45,47)
Additionnal Information
IUPAC name: [2-[6-[[[9-[2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphorylmethoxy]ethyl]purin-6-yl]amino]methylamino]purin-9-yl]ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Adefovir Dipivoxil Dimer
CAS Number323201-05-4
PubChem CID58409475
IUPAC Name[2-[6-[[[9-[2-[bis(2,2-dimethylpropanoyloxymethoxy)phosphorylmethoxy]ethyl]purin-6-yl]amino]methylamino]purin-9-yl]ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Molecular FormulaC41H64N10O16P2
Molecular Weight1015.0
XLogP4.4
Topological Polar Surface Area306
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count24
Rotatable Bond Count34
Heavy Atom Count69
Formal Charge0
Complexity1580
SMILES
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)NCNC3=C4C(=NC=N3)N(C=N4)CCOCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C41H64N10O16P2/c1-38(2,3)34(52)60-22-64-68(56,65-23-61-35(53)39(4,5)6)26-58-15-13-50-20-48-28-30(44-18-46-32(28)50)42-17-43-31-29-33(47-19-45-31)51(21-49-29)14-16-59-27-69(57,66-24-62-36(54)40(7,8)9)67-25-63-37(55)41(10,11)12/h18-21H,13-17,22-27H2,1-12H3,(H,42,44,46)(H,43,45,47)
InChIKey
IJYGMHSBJFNXBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adefovir Dipivoxil Dimer
CAS: 323201-05-4
CID: 58409475
Formula: C41H64N10O16P2
MW: 1015.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1015.0
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count24
Rotatable Bond Count34
Exact Mass1014.39769999
Monoisotopic Mass1014.39769999
Topological Polar Surface Area306 Ų
Heavy Atom Count69
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A280465-100MGAdefovir Dipivoxil
TRC-A280465-50MGAdefovir Dipivoxil
TRC-A280465-500MGAdefovir Dipivoxil
TRC-A247535-25MGAdefovir Monopivoxil Dimer
TRC-A247500-10MGAdefovir
TRC-A247500-100MGAdefovir
TRC-A247500-50MGAdefovir
TRC-A247502-25MGAdefovir-d4
TRC-A247525-5MGAdefovir Monopivoxil
TRC-A247502-2.5MGAdefovir-d4

Alternative Products

CatalogName
440976-01Adefovir Dipivoxil Dimer
B2222-50Adefovir Dipivoxil
A10039-25Adefovir dipivoxil 25mg
A10039-50Adefovir dipivoxil 50mg
RM-A040627-01Adefovir Dipivoxil Intermediate
A10039-1000Adefovir dipivoxil 1g

Popular Products