![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 guanosin, 5 ′ -o- [Bis (4-metoxifenyl) fenylmetyl] -2 ′ -deoxy-2 ′-fluoro-N- (2-metyl-1-oxopropyl)-, 3 ′-[2-cyanoetyl N, N-bis (1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) ((1-metyl-etyl) Phoscidite] (acci) (accieded] (accieded] (AciCHEMEREDED BILDEDERAD](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 registernummer
144089-97-4
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 857.91 | - |
| PKA (förutspådd) | 9.16 ± 0,20 | Mest sura temp: 25 ° C |
Kanoniska leenden
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(=O)C(C)C)NC65)N(C(C) C)C(C)C
Isomer leenden
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)C)=O)N3)(C4=CC=C(OC)C = C4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Tum
Tum = 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 (58-24-12-46 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/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Inchi -nyckel
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1 annat namn för detta ämne
Guanosin, 5 ′ -O-[bis (4-metoxifenyl) fenylmetyl] -2 ′ -deoxy-2 ′ -fluoro-N-(2-metyl-1-oxopropyl)-, 3 ′-[2-cyanoetylbis (1-metyletyl) fosforamidit] (9CI)
Egenskaper tillgängliga
Biologisk
Kemisk
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 298 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 6350 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 57800 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,76 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,24 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2,03 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,04 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 19300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Fastighetsvärde Källa källa |
| 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 |
| Egendom | Värde | Skick | Källa |
| 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 |
| inloggning | 7.351 ± 0,713 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 3,0 x 10-5 g/L | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,022 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,0 x 10-3 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,9 x 10-5 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,0 x 10-5 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,0 x 10-5 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,3 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 6,5 x 10-5 g/L | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,0 x 10-5 g/L | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 3,5 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,6 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,2 x 10-6 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,5 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,6 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,5 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,5 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,9 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 7,6 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,1 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 3,5 x 10-8 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 857.91 | ||
| pka | 9.16 ± 0,20 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Konditionskälla |
| Polär yta | 184 A2 | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 18 | (1) ACD | |
| H acceptorer | 15 | (1) ACD | |
| H givare | 2 | (1) ACD | |
| H givare/acceptor summa | 17 | (1) ACD | |
| inloggning | 7.351 ± 0,713 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 857.91 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
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