3-DEAZA-DA CEP

CAS No.
666257-76-7
CCD No.
CCD00620789
Formula
C48 H53 N6 O7 P
MolWeight
856.956

Basic Information

Product Name: 3-DEAZA-DA CEP
CAS: 666257-76-7
English Synonyms: 3-DEAZA-DA CEP ; 3-DEAZA-2'-DEOXYADENOSINE 3'-CE PHOSPHORAMIDITE
MDL Number.: MFCD08062069
H bond acceptor: 13
H bond donor: 1
Smile: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(c2ccccc2)(c3ccc(cc3)OC)c4ccc(cc4)OC)n5cnc6c5ccnc6NC(=O)c7ccccc7
InChi: InChI=1S/C48H53N6O7P/c1-33(2)54(34(3)4)62(59-29-13-27-49)61-42-30-44(53-32-51-45-41(53)26-28-50-46(45)52-47(55)35-14-9-7-10-15-35)60-43(42)31-58-48(36-16-11-8-12-17-36,37-18-22-39(56-5)23-19-37)38-20-24-40(57-6)25-21-38/h7-12,14-26,28,32-34,42-44H,13,29-31H2,1-6H3,(H,50,52,55)/t42-,43+,44+,62?/m0/s1
InChiKey: InChIKey=KANZRWOEDDAVIO-IHHNYUCOSA-N

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