![C41H51N5O8Si Guanosin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-[(1,1- dimetiletil)dimetilsilil]-N-(2-metil-1-oksopropil)- (9CI, ACI )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8Si Guanosin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-[(1,1- dimetiletil)dimetilsilil]-N-(2-metil-1-oksopropil)- (9CI, ACI ) Gambar Unggulan](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si Guanosin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-[(1,1- dimetiletil)dimetilsilil]-N-(2-metil-1-oksopropil)- (9CI, ACI )
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 769.96 | - |
| Kepadatan (Diprediksi) | 1,25±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr |
| pKa (Diprediksi) | 9,16±0,20 | Suhu Paling 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](C)(C)C(C)(C)C
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
Di ChI
InciChI=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/jam10-22,24-25,31,33-34,38,47jam,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-metoksifenil)fenilmetil]-2′-O-[(1,1-dimetiletil)dimetilsilil]-N-(2-metil-1-oksopropil)guanosin (ACI)
Spektrum tersedia
1 jam NMR
13C NMR
Massa
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 1,38x105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3,53x105 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4,18x105 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4,26x105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4,26x105 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4,26x105 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4,21x105 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3,77x105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,86x105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 33800 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | 1,21x105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 3,08x105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 3,65x105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 3,72x105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 3,73x105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 3,72x105 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 3,68x105 | pH 7; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Koc | 3,30x105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1,62x105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 29600 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 7.22 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 7.63 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 7.70 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 7.71 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 7.71 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 7.71 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 7.70 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 7.66 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.35 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.61 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 7.710±0.709 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 2,7 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 8,5 x 10-5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,3 x 10-5 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,8 x 10-5 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,7 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,7 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,7 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,8 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,1 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 6,2 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,5 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,8 x 10-5 g/L | Air Tanpa Buffer pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 3,5 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,1 x 10-7 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,3 x 10-8 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,6 x 10-8 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,5 x 10-8 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,5 x 10-8 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 3,5 x 10-8 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,6 x 10-8 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,0 x 10-8 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 8,1 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,5 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,6 x 10-8 mol/L | Air Tanpa Buffer pH 7,00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 769.96 | ||
| pKa | 9,16±0,20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,25±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
| Volume Molar | 615,5±7,0 cm3/mol | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 14 | (1) ACD | |
| H Akseptor | 13 | (1) ACD | |
| H Donor | 3 | (1) ACD | |
| H Jumlah Donor/Akseptor | 16 | (1) ACD | |
| logP | 7.710±0.709 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 769.96 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 155A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 jam NMR
13C NMR
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