![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)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.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) Prezentita bildo](https://cdn.globalso.com/nvchem/C44H53FN7O8.png)
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)
CAS -registra numero
144089-97-4
| Ŝlosilaj fizikaj ecoj | Valoro | Kondiĉo |
| Molekula pezo | 857.91 | - |
| PKA (antaŭdirita) | 9,16 ± 0,20 | Plej acida temp: 25 ° C |
Kanonikaj ridetoj
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = 6C (= O) N = C (NC (C) C (C) C)
Izomeraj ridetoj
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (F) [C @@ H] (O1) N2C3 = C (N = C2) C (= O) N = C (NC (C) C) = O) (C (C) C ( = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C44H53FN7O8P/C1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (60-61 (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) (5) ( 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32/H9-11,13-22,26-29-35-36,38,42,13,13.26,26-29,35-36,38,42,42,13,22,26-29-35-36,38,42,13,13,22,26-29-35-36,38,42,42,13,22,26,26,32,42,42,13,22,26,32,42,42,42,42,22,26,32,42,42,22,22,26,32,42,42,42,42,22,22,26,32,42,42,23, 12. 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Inchi -ŝlosilo
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1 alia nomo por ĉi tiu substanco
Guanosino, 5 ′ -O-[bis (4-metoxifenil) fenilmetil] -2 ′ -deoxy-2 ′ -fluoro-N-(2-metil-1-oxopropil)-, 3 ′-[2-cianoetil bis (1-metila etilo) fosforamidito] (9CI)
Haveblaj havaĵoj
Biologia
Kemia
Lipinski
Rilata strukturo
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Bioconcentra faktoro | 298 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 6350 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 57800 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.76 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.24 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 2.03 x 105 | ph 8; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 1.04 x 105 | ph 9; Temp: 25 ° C | (1) ACD |
| Bioconcentra faktoro | 19300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
| Fonto de Nemovebla Valora Kondiĉo |
| KOC 312 ph 1; Temp: 25 ° C (1) ACD |
| KOC 6630 ph 2; Temp: 25 ° C (1) ACD |
| KOC 60400 ph 3; Temp: 25 ° C (1) ACD |
| KOC 1,84 x 105 pH 4; Temp: 25 ° C (1) ACD |
| KOC 2.31 x 105 pH 5; Temp: 25 ° C (1) ACD |
| KOC 2.37 x 105 pH 6; Temp: 25 ° C (1) ACD |
| KOC 2.35 x 105 pH 7; Temp: 25 ° C (1) ACD |
| KOC 2.12 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1.08 x 105 ph 9; Temp: 25 ° C (1) ACD |
| KOC 20200 ph 10; Temp: 25 ° C (1) ACD |
| LogD 4.47 pH 1; Temp: 25 ° C (1) ACD |
| logD 5.80 pH 2; Temp: 25 ° C (1) ACD |
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| logd | 6.76 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.24 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.34 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.30 | ph 8; Temp: 25 ° C | (1) ACD |
| logd | 7.01 | ph 9; Temp: 25 ° C | (1) ACD |
| logd | 6.28 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
| Masa intrinseka solvebleco | 3.0 x 10-5 g/L | Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 0,022 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 1.0 x 10-3 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 1.2 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3.9 x 10-5 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,1 x 10-5 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3.0 x 10-5 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3.0 x 10-5 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3.3 x 10-5 g/L | ph 8; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 6,5 x 10-5 g/L | ph 9; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3,5 x 10-4 g/L | pH 10; Temp: 25 ° C | (1) ACD |
| Masa solvebleco | 3.0 x 10-5 g/L | Nebuligita akvo pH 7.00; Temp: 25 ° C | (1) ACD |
| Molara intrinseka solvebleco | 3,5 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 2.6 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1.2 x 10-6 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 1.4 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 4.5 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 3.6 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 3,5 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 3,5 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 3.9 x 10-8 mol/l | ph 8; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 7,6 x 10-8 mol/l | ph 9; Temp: 25 ° C | (1) ACD |
| Molara solvebleco | 4.1 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Molara solvebleco | 3,5 x 10-8 mol/l | Nebuligita akvo pH 7.00; Temp: 25 ° C | (1) ACD |
| Molekula pezo | 857.91 | ||
| PKA | 9,16 ± 0,20 | Plej acida temp: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Plej Baza Temp: 25 ° C | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
| Posedaĵo | Valoro | Kondiĉa fonto |
| Polusa surfaco | 184 A2 | (1) ACD |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
| Posedaĵo | Valoro | Kondiĉo | Fonto |
| Libere rotacieblaj ligoj | 18 | (1) ACD | |
| H Akceptantoj | 15 | (1) ACD | |
| H Donacantoj | 2 | (1) ACD | |
| H donacanto/akceptanta sumo | 17 | (1) ACD | |
| logp | 7.351 ± 0.713 | Temp: 25 ° C | (1) ACD |
| Molekula pezo | 857.91 |
(1) Kalkulita uzante Programaron de Altnivela Kemio-Disvolviĝo (ACD/LABS) V11.02 (© 1994-2023 ACD/Labs)
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