5'-O-Dimethoxytrityl-N-benzoyl-desoxycytidine

The CAS register number of Cytidine,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy- is 67219-55-0. It also can be called as N(4)-Benzoyl-5'-O-(p,p'-dimethoxytrityl)-2'-deoxycytidine and the IUPAC name about this chemical is N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide. The molecular formula about this chemical is C₃₇H₃₅N₃O₇ and the molecular weight is 633.70. It belongs to the following product categories which include Organics; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents; Nucleic acids and so on.

Physical properties about Cytidine,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy- are: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.18; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 29125.76; (6)ACD/BCF (pH 7.4): 25247.17; (7)ACD/KOC (pH 5.5): 54559.67; (8)ACD/KOC (pH 7.4): 47294.11; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 99.13Ų; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 176.11 cm³; (15)Molar Volume: 497.4 cm³; (16)Polarizability: 69.81x10^-24cm³; (17)Surface Tension: 49.7 dyne/cm.

Preparation: this chemical can be prepared by 5'-dimethoxytrityl N⁴-benzoyl deoxycytosine 3'-methylphosφnate at ambient temperature. This reaction will need reagent TBAF and solvent H₂O, tetrahydrofuran. The reaction time is 3 hour(s). The yield is about 81%.

Uses of Cytidine,N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-: it can be used to produce N⁴-benzoyl-5'-O-dimethoxytrityl-3'-O-methylthiomethyl-2'-deoxycytidine with dimethylsulfane at temperature of 20 ℃. This reaction will need reagent benzoyl peroξde, 2,6-lutidine and solvent acetonitrile, CH₂Cl₂ with reaction time of 2 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves, you also need to remeber not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)N/C/2=N/C(=O)N(\C=C\2)[C@@H]3O[C@@H]([C@@H](O)C3)COC(c4ccccc4)(c5ccc(OC)cc5)c6ccc(OC)cc6
(2)InChI: InChI=1/C37H35N3O7/c1-44-29-17-13-27(14-18-29)37(26-11-7-4-8-12-26,28-15-19-30(45-2)20-16-28)46-24-32-31(41)23-34(47-32)40-22-21-33(39-36(40)43)38-35(42)25-9-5-3-6-10-25/h3-22,31-32,34,41H,23-24H2,1-2H3,(H,38,39,42,43)/t31-,32+,34+/m0/s1
(3)InChIKey: MYSNCIZBPUPZMQ-VOTWKOMSBK
(4)Std. InChI: InChI=1S/C37H35N3O7/c1-44-29-17-13-27(14-18-29)37(26-11-7-4-8-12-26,28-15-19-30(45-2)20-16-28)46-24-32-31(41)23-34(47-32)40-22-21-33(39-36(40)43)38-35(42)25-9-5-3-6-10-25/h3-22,31-32,34,41H,23-24H2,1-2H3,(H,38,39,42,43)/t31-,32+,34+/m0/s1
(5)Std. InChIKey: MYSNCIZBPUPZMQ-VOTWKOMSSA-N