![C45H56N7O9P guanosin, 5 ′ -o- [Bis (4-metoxifenyl) fenylmetyl] -2 ′ -O-metyl- N- (2-metyl-1-oxopropyl)-, 3 ′-[2-cy-cy-dietyl N, N-Bis (1-metyletyl) fosforamidit] (aci) (aci) (aci) (aci) (aci) (aci) (aci](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P guanosin, 5 ′ -o- [Bis (4-metoxifenyl) fenylmetyl] -2 ′ -O-metyl- N- (2-metyl-1-oxopropyl)-, 3 ′-[2-cy-cy-dietyl N, N-Bis (1-metyletyl) fosforamidit] (aci) (aci) (aci) (aci) (aci) (aci) (aci
Cas registernummer
150780-67-9
H303
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 869.94 | - |
| PKA (förutspådd) | 9.16 ± 0,20 | Mest sura temp: 25 ° C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)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](OC)[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/C45H56N7O9P/C1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-51
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-20-34 (55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33/H10-12,233,23,27 -30,36,38-39,43H, 13,25-26H2,1-9H3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1/S1/S1
Inchi -nyckel
Irrdhrzuoznwdj-mlldkzsosa-n
1 annat namn för detta ämne
Guanosin, 5 ′ -O-[Bis (4-metoxifenyl) fenylmetyl] -2 ′-O-metyl-N-(2-metyl-1-oxopropyl)-, 3 ′-[2-cyanoetylbis (1-metyletyl) fosforamidit] (9CI)
Spektra tillgängligt
13 C NMR
Hetero nmr
Egenskaper tillgängliga
Biologisk
Kemisk
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 183 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3890 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 35500 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,08 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,36 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,39 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,38 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,24 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 63600 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 11900 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Koc | 220 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 4680 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 42600 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1,30 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1,63 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1,67 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,65 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 1,49 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 76400 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 14200 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.52 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 6.48 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 6.96 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.06 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.07 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.07 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.02 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.00 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 1,2 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,096 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,3 x 10-3 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,8 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,6 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,4 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,7 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,4 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 x 10-4 g/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,4 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,1 x 10-4 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,0 x 10-6 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,5 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 1,4 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,1 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-7 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 869.94 | ||
| 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 | Skick | Källa |
| Fritt roterbara bindningar | 19 | (1) ACD | |
| H acceptorer | 16 | (1) ACD | |
| H givare | 2 | (1) ACD | |
| H givare/acceptor summa | 18 | (1) ACD | |
| inloggning | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 869.94 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Konditionskälla |
| Polär yta | 194 A2 | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1 H NMR
13 C NMR
| Koda | Fiskuttalande | Källa |
| H303 | Kan vara skadligt om det sväljs | Expert kuraterad |
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