![C41H51N5O8Si guanosin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl] -n- (2-metyl-1-oxopropyl)-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8SI-guanosin, 5'-O-O-[Bis (4-metoxyfenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl] -n- (2-metyl-1-oxopropyl)-(9CI, ACI) presenterade bild bild](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si guanosin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl] -n- (2-metyl-1-oxopropyl)-(9CI, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 769.96 | - |
| Densitet (förutspådd) | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 9.16 ± 0,20 | Mest sura temp: 25 ° C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomer leenden
C (oc [c@h] 1o [c@h] ([c@h] (o [si] (c (c) (c) c) (c) c) [c @@ h] 1o) 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
InChI=1S/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55(8,9)40(3,4)5)33(47)31(53-38)23-52-41(2 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,38,47H, 23H2,1-9H3, (H2,43,443,44445,
48,49)/T31-, 33-, 34-, 38-/m1/s1
Inchi -nyckel
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1 annat namn för detta ämne
5'-o-[Bis (4-metoxifenyl) fenylmetyl] -2'-O-[(1,1-dimetyletyl) dimetylsilyl] -N- (2-metyl-1-oxopropyl) guanosin (ACI)
Spektra tillgängligt
1H NMR
13C NMR
Massa
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 1,38 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3,53 x 105 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 4,18 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 4,26 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 4,26 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 4,26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 4,21 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3,77 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1,86 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 33800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 1,21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 3,08 x 105 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 3,65 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 3,72 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 3,73 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 3,72 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 3,68 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 3,30 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 29600 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.22 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.63 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 7.70 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.71 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.70 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.66 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.35 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.61 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 7.710 ± 0,709 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 2,7 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 8,5 x 10-5 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,3 x 10-5 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,8 x 10-5 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,7 x 10-5 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,7 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,7 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 2,8 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,1 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 6.2 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 | 2,8 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 | 1,1 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,3 x 10-8 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,6 x 10-8 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,5 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,5 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 3,5 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,6 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,0 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8.1 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,5 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,6 x 10-8 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 769.96 | ||
| pka | 9.16 ± 0,20 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 615,5 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 14 | (1) ACD | |
| H acceptorer | 13 | (1) ACD | |
| H givare | 3 | (1) ACD | |
| H givare/acceptor summa | 16 | (1) ACD | |
| inloggning | 7.710 ± 0,709 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 769.96 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 155 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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