N2-Isobutyryl-2'-deoxyguanosine supplier

Name
N2-Isobutyryl-2'-deoxyguanosine
EINECS 2017-001-1
CAS No. 68892-42-2
Article Data1
CAS DataBase
Density 1.72 g/cm³
Solubility
Melting Point ≥300 °C
Formula C₁₄H₁₉N₅O₅
Boiling Point
Molecular Weight 337.335
Flash Point
Transport Information
Appearance White to off-white powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-N-Isobutyryl-2'-deoxyguanosine;N-Isobutyryldeoxyguanosine;N2-Isobutyryl-2'-deoxyguanosine;N2-Isobutyryldeoxyguanosine;
PSA 142.36000
LogP -0.57220

N2-Isobutyryl-2'-deoxyguanosine Specification

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

Product Name

N2-Isobutyryl-2'-deoxyguanosine

N2-Isobutyryl-2'-deoxyguanosine Specification

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