Cytidine,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-benzoate (9CI)

The Cytidine,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-benzoate (9CI), with the CAS registry number 93966-67-7, is also known as N-Benzoyl-5'-O-(bis(p-methoxyphenyl)benzyl)-2'-deoxycytidine 3'-benzoate. Its EINECS registry number is 301-020-5. This chemical's molecular formula is C₄₄H₃₉N₃O₈ and molecular weight is 737.79576. Its IUPAC name is called [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl] benzoate.

Physical properties of Cytidine,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-, 3'-benzoate (9CI): (1)XLogP3: 7.5; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 8; (4)Rotatable Bond Count: 14; (5)Tautomer Count: 4; (6)Exact Mass: 737.273715; (7)MonoIsotopic Mass: 737.273715; (8)Topological Polar Surface Area: 125; (9)Heavy Atom Count: 55; (10)Formal Charge: 0; (11)Complexity: 1310; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 3; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical 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)OC(=O)C7=CC=CC=C7
(2)Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
(3)InChI: InChI=1S/C44H39N3O8/c1-51-35-22-18-33(19-23-35)44(32-16-10-5-11-17-32,34-20-24-36(52-2)25-21-34)53-29-38-37(55-42(49)31-14-8-4-9-15-31)28-40(54-38)47-27-26-39(46-43(47)50)45-41(48)30-12-6-3-7-13-30/h3-27,37-38,40H,28-29H2,1-2H3,(H,45,46,48,50)/t37-,38+,40+/m0/s1
(4)InChIKey: CEZLNWMBCXGWON-PQTOBSADSA-N