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CAS No.: | 68892-42-2 |
---|---|
Name: | N2-Isobutyryl-2'-deoxyguanosine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C14H19N5O5 |
Molecular Weight: | 337.335 |
Synonyms: | 2-N-Isobutyryl-2'-deoxyguanosine;N-Isobutyryldeoxyguanosine;N2-Isobutyryl-2'-deoxyguanosine;N2-Isobutyryldeoxyguanosine; |
EINECS: | 2017-001-1 |
Density: | 1.72 g/cm3 |
Melting Point: | ≥300 °C |
Appearance: | White to off-white powder |
Safety: | 22-24/25 |
PSA: | 142.36000 |
LogP: | -0.57220 |
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The Guanosine,2'-deoxy-N-(2-methyl-1-oxopropyl)-, with the CAS registry number 68892-42-2, has the systematic name of 2'-deoxy-N-(2-methylpropanoyl)guanosine. It belongs to the following product categories: Biochemistry; Nucleosides and their analogs; Nucleosides, Nucleotides & Related Reagents; Nucleosides; Oligonucleotide Synthesis; Specialty Synthesis. And the molecular formula of the chemical is C14H19N5O5. 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,2'-deoxy-N-(2-methyl-1-oxopropyl)- are as followings: (1)ACD/LogP: -2.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.32; (8)ACD/KOC (pH 7.4): 19.98; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 98.49 Å2; (13)Index of Refraction: 1.752; (14)Molar Refractivity: 80.01 cm3; (15)Molar Volume: 195.9 cm3; (16)Polarizability: 31.72×10-24cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.72g/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)CO)C(C)C
(2)InChI: InChI=1/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1
(3)InChIKey: SIDXEQFMTMICKG-DJLDLDEBBL