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5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine

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Name

5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine

EINECS 272-615-4
CAS No. 68892-41-1 Density 1.35 g/cm3
PSA 149.82000 LogP 4.46140
Solubility 2.4mg/L at 20℃ Melting Point 150 °C (dec.)(lit.)
Formula C35H37N5O7 Boiling Point 671.92°C (rough estimate)
Molecular Weight 639.708 Flash Point N/A
Transport Information N/A Appearance white powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 68892-41-1 (5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine) Hazard Symbols N/A
Synonyms

5'-O-(Dimethoxytrityl)-N-isobutyryldeoxyguanosine;5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-N-(2-methylpropanoyl)guanosine;guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)-;N2-Isobutyryl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine;

Article Data 14

5'-O-Dimethoxytrityl-N-isobutyryl-deoxyguanosine Specification

The Guanosine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)-, with the CAS registry number 68892-41-1 and EINECS registry number 272-615-4, has the systematic name of 5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-N-(2-methylpropanoyl)guanosine. It belongs to the following product categories: Organics; Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents. And the molecular formula of the chemical is C35H37N5O7. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Guanosine,5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)- are as followings: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 872.45; (6)ACD/BCF (pH 7.4): 833.03; (7)ACD/KOC (pH 5.5): 4425.5; (8)ACD/KOC (pH 7.4): 4225.56; (9)#H bond acceptors: 12; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 116.95 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 172.63 cm3; (15)Molar Volume: 472.9 cm3; (16)Polarizability: 68.43×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.35 g/cm3

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N/C2=N/C(=O)c1ncn(c1N2)[C@@H]3O[C@@H]([C@@H](O)C3)COC(c4ccccc4)(c5ccc(OC)cc5)c6ccc(OC)cc6)C(C)C
(2)InChI: InChI=1/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1
(3)InChIKey: RMQXDNUKLIDXOS-ZGIBFIJWBH

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