C15H21N5O6 guanosino, 2′-O-metil-n- (2-metil-1-oxopropil)-(9ci, ACI)
| Ŝlosilaj fizikaj ecoj | Valoro | Kondiĉo |
| Molekula pezo | 367.36 | - |
| Denseco (antaŭdirita) | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Gazetaro: 760 Torr |
| PKA (antaŭdirita) | 9,16 ± 0,20 | Plej acida temp: 25 ° C |
Kanonikaj ridetoj O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OC
Izomeraj ridetoj 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/H5-7,9-10,14,21-21-21-21-7,9-14,21-21- 22H, 4H2,1-3H3, (H2,17,18,19,23,24)/T7-, 9-, 10-, 14-/M1/S1
Inchi -ŝlosilo
Rpulcyxeyodqog-akaijsegsa-n
2 Aliaj nomoj por ĉi tiu substanco
2′-O-Metil-N-(2-metil-1-oxopropil) guanosino (ACI);N2-izobutiril-2′-O-metilguanosine
Spektroj haveblaj
1h NMR
13C NMR
Meso
| Haveblaj havaĵoj |
| Biologia |
| Kemia |
| Denseco |
| Lipinski |
| Rilata strukturo |
Biologia
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Bioconcentra faktoro | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | ph 8; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | ph 9; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Kemia
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| KOC | 2.12 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 8.67 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 12.6 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 13.3 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 13.3 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 13.3 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 13.2 | pH 7; Temp: 25 ° C | (1) ACD |
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| KOC | 12.5 | ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 7.85 | ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 1.76 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | -1.26 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | -0.65 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | ph 8; Temp: 25 ° C | (1) ACD |
| logd | -0.69 | ph 9; Temp: 25 ° C | (1) ACD |
| logd | -1.34 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Masa intrinseka solvebleco | 0,55 g/L | Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,84 g/L | pH 2; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,59 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,55 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,55 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,55 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,55 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,59 g/L | ph 8; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,96 G/L | ph 9; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 4.4 G/L | pH 10; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,55 g/L | Nebuligita akvo pH 6.00; Temp: 25 ° C | (1) ACD |
| Molara intrinseka solvebleco | 1,5 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 9.6 x 10-3 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 2.3 x 10-3 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1.6 x 10-3 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1,5 x 10-3 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1,5 x 10-3 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Molara solvebleco | 1,5 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1,5 x 10-3 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1.6 x 10-3 mol/l | ph 8; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 2.6 x 10-3 mol/l | ph 9; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 0,012 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1,5 x 10-3 mol/l | Nebuligita akvo pH 6.00; Temp: 25 ° C | (1) ACD |
| Molekula pezo | 367.36 | ||
| PKA | 9,16 ± 0,20 | Plej acida temp: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Plej Baza Temp: 25 ° C | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Denseco
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Denseco | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Gazetaro: 760 Torr | (1) ACD |
| Molara volumo | 217,6 ± 7,0 cm3/mol | Temp: 20 ° C; Gazetaro: 760 Torr | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Libere rotacieblaj ligoj | 6 | (1) ACD | |
| H Akceptantoj | 11 | (1) ACD | |
| H Donacantoj | 4 | (1) ACD | |
| H donacanto/akceptanta sumo | 15 | (1) ACD | |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Molekula pezo | 367.36 |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Rilata strukturo
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Polusa surfaco | 147 A2 | (1) ACD | |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
Spektroj haveblaj
1h NMR
Spektroj haveblaj
13C NMR
![C38H49NO7 1- PIROLIDINIINODECANOIC Acid, 2- [[BIS (4-metoxifenil) fenilm-etoxi] metil] -4-hidroksi-λ-oxo-, (2s, 4r)-(ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C39H37N5O7 Adenosino, N-Benzoyl-5′-O- [BIS (4-metoxifenil) Fenilmetil] -2′- O-Metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C13H13NO5 1H-PYRANO [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-etil-7,8-dihydro-4- hidroks-, (4S)-(9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C36H39N5O8 guanosino, 5′-O- [BIS (4-metoxifenil) fenilmetil] -2′-O-metil- N- (2-metil-1-oxopropilo)-(9ci, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C34H39N3O8 Cytidine, 5′-O- [BIS (4-metoxifenil) fenilmetil] -2′-O- (2-Metox Yethyl) -5-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)