C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)

hua

C15H21N5O6 Guanosine, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha rāpoi 367.36 -
Kiato (I Matapaetia) 1.68±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr
pKa (I matapaetia) 9.16±0.20 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

NGĀ MĀTAI KORENO O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC

NGĀ MAHI Isomerik O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C@H](CO)[C@H]1O

InChI

InChI=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3) 9(22)7(4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1

Kī InChI

RPULCYXEYODQOG-AKAIJSEGSA-N

2 Ētahi atu Ingoa mō tēnei Matū

2′-O-Methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI);N2-Isobutyryl-2′-O-methylguanosine

Nga Taonga Matapae

Kei te waatea te Spectra
1H NMR
13C NMR
Mass

Nga rawa e waatea ana
Koiora
Te matū
Kiato
Lipinski
Hanganga e Pa ana

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 1.0 pH 1; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 2; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 3; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 4; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 5; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 6; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 7; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 8; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 9; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 10; Te Mamahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 2.12 pH 1; Te Mamahana: 25 °C (1) ACD
Koc 8.67 pH 2; Te Mamahana: 25 °C (1) ACD
Koc 12.6 pH 3; Te Mamahana: 25 °C (1) ACD
Koc 13.3 pH 4; Te Mamahana: 25 °C (1) ACD
Koc 13.3 pH 5; Te Mamahana: 25 °C (1) ACD
Koc 13.3 pH 6; Te Mamahana: 25 °C (1) ACD
Koc 13.2 pH 7; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 12.5 pH 8; Te Mamahana: 25 °C (1) ACD
Koc 7.85 pH 9; Te Mamahana: 25 °C (1) ACD
Koc 1.76 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiD -1.26 pH 1; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.65 pH 2; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.49 pH 3; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.47 pH 4; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.46 pH 5; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.46 pH 6; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.47 pH 7; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.49 pH 8; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.69 pH 9; Te Mamahana: 25 °C (1) ACD
rangitakiD -1.34 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiP -0.464±0.636 Te Mamahana: 25 °C (1) ACD
Te Wairewa o roto 0.55 g/L Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 g/L pH 1; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.84 g/L pH 2; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.59 g/L pH 3; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.55 g/L pH 4; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.55 g/L pH 5; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.55 g/L pH 6; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.55 g/L pH 7; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.59 g/L pH 8; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.96 g/L pH 9; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.4 g/L pH 10; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.55 g/L Te Wai Whakakore pH 6.00; Te Mamahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.5 x 10-3 mol/L Te Mamahana: 25 °C (1) ACD
Molar Solubility 9.6 x 10-3 mol/L pH 1; Te Mamahana: 25 °C (1) ACD
Molar Solubility 2.3 x 10-3 mol/L pH 2; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-3 mol/L pH 3; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-3 mol/L pH 4; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-3 mol/L pH 5; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 1.5 x 10-3 mol/L pH 6; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-3 mol/L pH 7; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-3 mol/L pH 8; Te Mamahana: 25 °C (1) ACD
Molar Solubility 2.6 x 10-3 mol/L pH 9; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.012 mol/L pH 10; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-3 mol/L Te Wai Whakakore pH 6.00; Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 367.36    
pKa 9.16±0.20 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa 1.73±0.10 Te Mahana Matua: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Kiato

Taonga Uara Tikanga Puna
Kiato 1.68±0.1 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD
Rōrahi Moara 217.6±7.0 cm3/mol Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 6   (1) ACD
H Nga Kaiwhiwhi 11   (1) ACD
H Nga Kaituku 4   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 15   (1) ACD
rangitakiP -0.464±0.636 Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 367.36    

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara

Tikanga

Puna
Rohe Mata Polar 147 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra
1H NMR

Kei te waatea te Spectra
13C NMR


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