![C41H51N5O8SI guanosine, fenilmetil 5′-o- [bis (4-metoxyphenyl)] -2′-o-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-metil-1-oksopropil)-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8SI guanosine, 5′-o- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-metil-1-oksopropil)-(9ci, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8SI guanosine, fenilmetil 5′-o- [bis (4-metoxyphenyl)] -2′-o-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-metil-1-oksopropil)-(9ci, ACI)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 769.96 | - |
| Kepadatan (diprediksi) | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik 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) (Si) (C) (C) (C) (C) C6 C6) C (O) C3O
Senyum isomer
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
Inci
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,(H2,43,44,45,
48,49)/T31-, 33-, 34-, 38-/M1/S1
Kunci Inchi
Jmcnkjfoijgyrg-cjegosrcsa-n
1 nama lain untuk zat ini
5′-o- [bis (4-metoksyphenyl) phenylmethyl] -2′-o-[(1,1-dimethylethyl) dimethylsilyl] -n- (2-metil-1-oxopropyl) guanosine (ACI)
Spektrum tersedia
1H nmr
13C NMR
Massa
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 1.38 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3.53 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 4.18 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 4.26 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 4.26 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 4.26 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 4.21 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3.77 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.86 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 33800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| 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 |
| Milik | Nilai | Kondisi | Sumber |
| 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 |
| logp | 7.710 ± 0,709 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 2,7 x 10-5 g/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 8,5 x 10-5 g/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,3 x 10-5 g/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.8 x 10-5 g/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2,7 x 10-5 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2,7 x 10-5 g/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2,7 x 10-5 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.8 x 10-5 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-5 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 6.2 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,5 x 10-4 g/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.8 x 10-5 g/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 3,5 x 10-8 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.3 x 10-8 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,6 x 10-8 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 3,5 x 10-8 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,6 x 10-8 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.0 x 10-8 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.1 x 10-8 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,5 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,6 x 10-8 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 769.96 | ||
| PKA | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,25 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 615,5 ± 7,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 14 | (1) ACD | |
| H akseptor | 13 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H donor/jumlah akseptor | 16 | (1) ACD | |
| logp | 7.710 ± 0,709 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 769.96 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 155 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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