Entecavir-5
Product Code
TRC-E559965
CAS Number
Product Format
Neat
Molecular Formula
C52 H49 N5 O5
Molecular Weight
823.976
Product Categories
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Entecavir-5
CAS Number
142217-78-5
Molecular Formula
C52 H49 N5 O5
Molecular Weight
823.976
Accurate Mass
823.373
SMILES
COc1ccc(cc1)C(Nc2nc(OCc3ccccc3)c4ncn([C@H]5C[C@H](OCc6ccccc6)[C@@H](COCc7ccccc7)[C@@H]5O)c4n2)(c8ccccc8)c9ccccc9
InChI
InChI=1S/C52H49N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46,48,58H,31-35H2,1H3,(H,54,55,56)/t44-,45+,46+,48+/m1/s1
IUPAC
(1S,2S,3S,5S)-5-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)