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Name |
2'-Deoxyguanosine monohydrate |
EINECS | 213-505-8 |
CAS No. | 961-07-9 | Density | 2.085 g/cm3 |
PSA | 148.51000 | LogP | -1.14060 |
Solubility | Slightly soluble in water. | Melting Point |
300 °C |
Formula | C10H13N5O4 | Boiling Point | 725.475 °C at 760 mmHg |
Molecular Weight | 267.244 | Flash Point | 392.553 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 24/25 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2'-Deoxyguanosine;9H-Purin-6-ol, 2-amino-9-(2-deoxy-9-beta-D-ribofuranosyl)-;Guanine deoxyriboside; |
Article Data | 70 |
diphenylmethylsulfonium tetrafluoroborate
9-(2'-deoxyribofuranosyl)guanine
A
O6-methyl 2'-deoxyguanosine
B
1-methyl-2'-deoxyguanosine
Conditions | Yield |
---|---|
With potassium hydroxide In water; N,N-dimethyl-formamide at 20℃; for 5h; | A 4% B 95% |
9-(2'-deoxyribofuranosyl)guanine
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; ammonia; 1,1,1,3,3,3-hexamethyl-disilazane In methanol; water; toluene | 24.2% |
4-(carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone
9-(2'-deoxyribofuranosyl)guanine
A
4-(3-pyridyl)-4-oxobutanol
B
(E)-4-(pyridin-3-yl)but-3-en-2-one
D
2'-deoxyguanosine 3'-(ethyl carbonate)
Conditions | Yield |
---|---|
With pH 8 sodium phosphate buffer In water at 37℃; for 96h; Further byproducts given; | |
With pH 8 sodium buffer In water at 37℃; for 96h; Further byproducts given; |
4-(carbethoxynitrosamino)-1-(3-pyridyl)-1-butanone
9-(2'-deoxyribofuranosyl)guanine
A
(E)-4-(pyridin-3-yl)but-3-en-2-one
B
2'-deoxyguanosine 3'-(ethyl carbonate)
C
2'-deoxyguanosine 5'-(ethyl carbonate)
Conditions | Yield |
---|---|
With pH 8 sodium phosphate buffer In water at 37℃; for 96h; Further byproducts given; |
triethylamine hydrochloride
9-(2'-deoxyribofuranosyl)guanine
N-isobutyryl deoxyguanosine
Conditions | Yield |
---|---|
With sodium methylate In methanol; hexane; N,N-dimethyl-formamide |
9-(2'-deoxyribofuranosyl)guanine
cyclohexanylcarbonyl chloride
N2-cyclohexylcarbonyl-2'-deoxyguanosine
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; ammonium fluoride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; pyridine; methanol; ice-water; ethanol; water; toluene |
Conditions | Yield |
---|---|
With rose bengal; ammonium chloride In aq. phosphate buffer at 22℃; pH=7.4; Irradiation; | A 31 %Chromat. B 62 %Chromat. |
9-(2'-deoxyribofuranosyl)guanine
Conditions | Yield |
---|---|
With ammonium chloride; riboflavin In aq. phosphate buffer at 22℃; pH=7.4; Irradiation; | A 11 %Chromat. B 29 %Chromat. C 11 %Chromat. D 43 %Chromat. |
Conditions | Yield |
---|---|
With sodium hexachloroiridate; ammonium chloride In aq. phosphate buffer at 22℃; pH=7.4; Irradiation; | A 50 %Chromat. B 42 %Chromat. C 8 %Chromat. |
9-(2'-deoxyribofuranosyl)guanine
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1: N-Bromosuccinimide / water; acetonitrile 2: 1H-imidazole / N,N-dimethyl-formamide / 20 °C 3: diethylazodicarboxylate; triphenylphosphine / 1,4-dioxane / 50 °C 4: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / tetrahydrofuran / 18 h / 40 °C / Inert atmosphere 5: hydrogenchloride / water; methanol / 20 °C 6: potassium carbonate / N,N-dimethyl-formamide / 50 °C 7: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 20 °C View Scheme |
The 2'-Deoxyguanosine monohydrate, with the CAS registry number 961-07-9 and EINECS registry number 213-505-8, has the IUPAC name of 2'-2'-Deoxyguanosine monohydrate. And the molecular formula of this chemical is C10H13N5O4. It is a derivative of the nucleoside adenosine, and belongs to the product categories: Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleic Acids. What's more, it is used in the biochemical study.
The 2'-Deoxyguanosine monohydrate is composed of the purine nucleoside guanine linked by its N9 nitrogen to the C1 carbon of deoxyribose. It is similar to guanosine, but with one hydroxyl group removed from the 2' position of the ribose sugar (making it deoxyribose). If a phosphate group is attached at the 5' position, it becomes 2'-Deoxyguanosine monohydrate monophosphate.
The physical properties of 2'-Deoxyguanosine monohydrate are as following: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.662; (5)ACD/KOC (pH 7.4): 5.687; (6)#H bond acceptors: 9; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 134.99 Å2; (10)Index of Refraction: 1.907; (11)Molar Refractivity: 59.959 cm3; (12)Molar Volume: 128.164 cm3; (13)Polarizability: 23.77×10-24cm3; (14)Surface Tension: 107.624 dyne/cm; (15)Density: 2.085 g/cm3; (16)Flash Point: 392.553 °C; (17)Enthalpy of Vaporization: 111.206 kJ/mol; (18)Boiling Point: 725.475 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
Uses of 2'-Deoxyguanosine monohydrate: It can react with 2,2-diethoxy-1-methyl-pyrrolidine to produce 2-N-(N-methylpyrrolidin-2-ylidene)-2'-2'-Deoxyguanosine monohydrate. This reaction will need solvent ethanol. The reaction time is 48 hours, and the yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)[nH]c(nc2=O)N
(2)InChI: InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
(3)InChIKey: YKBGVTZYEHREMT-KVQBGUIXBI