Structure

3'-Cytidylic acid,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-,2-chlorophenyl 2-cyanoethyl ester

CAS
80817-35-2
Catalog Number
ACM80817352
Category
Other Products
Molecular Weight
877.273242 [g/mol]
Molecular Formula
C46H42ClN4O10P

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Specification

Synonyms
YIVGVOFDVNJESZ-MAGPJGKGSA-, EINECS 279-563-1, 3-Cytidylic acid, N-benzoyl-5-O-(bis(4-methoxyphenyl)phenylmethyl)-2-deoxy-, 2-chlorophenyl 2-cyanoethyl ester, 80817-35-2, InChI=1/C46H42ClN4O10P/c1-55-36-22-18-34(19-23-36)46(33-14-7-4-8-15-33,35-20-24-37(56-2)25-21-35)57-31-41-40(61-62(54,58-29-11-27-48)60-39-17-10-9-16-38(39)47)30-43(59-41)51-28-26-42(50-45(51)53)49-44(52)32-12-5-3-6-13-32/h3-10,12-26,28,40-41,43H,11,29-31
IUPAC Name
[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] (2-chlorophenyl) 2-cyanoethyl phosphate
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP(=O)(OCCC#N)OC7=CC=CC=C7Cl
InChI Key
YIVGVOFDVNJESZ-MAGPJGKGSA-N
EC Number
279-563-1
Exact Mass
876.23300
H-Bond Acceptor
11
H-Bond Donor
1

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