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 dolar AS | - |
Kepadatan (Diprediksi) | 1,25±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 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 ISMER
Bahasa Indonesia: 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 Cina
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/dtk1
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
1H NMR
NMR 13C
Massa
Properti tersedia |
Biologis |
Kimia |
Kepadatan |
Lipinski |
Struktur Terkait |
Biologis
Milik | Nilai | Kondisi | Sumber |
Faktor Biokonsentrasi | Ukuran 1,38x105 | pH 1; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 3,53 x 105 cm | pH 2; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 4,18 x 105 cm | pH 3; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 4,26 x 105 cm | pH 4; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 4,26 x 105 cm | pH 5; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 4,26 x 105 cm | pH 6; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 4,21 x 105 cm | pH 7; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 3,77 x 105 cm | pH 8; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 1,86 x 105 cm | pH 9; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 33800 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
Milik | Nilai | Kondisi | Sumber |
Koc | Ukuran 1,21x105 | pH 1; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 3,08x105 | pH 2; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 3,65x105 | pH 3; Suhu: 25 °C | (1) ACD |
Koc | 3,72 x 105 cm | pH 4; Suhu: 25 °C | (1) ACD |
Koc | 3,73 x 105 cm | pH 5; Suhu: 25 °C | (1) ACD |
Koc | 3,72 x 105 cm | pH 6; Suhu: 25 °C | (1) ACD |
Koc | 3,68x105 cm | pH 7; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Koc | Ukuran 3,30 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
Koc | Ukuran 1,62x105 | pH 9; Suhu: 25 °C | (1) ACD |
Koc | 29600 | pH 10; Suhu: 25 °C | (1) ACD |
catatan D | 7.22 | pH 1; Suhu: 25 °C | (1) ACD |
catatan D | 7.63 | pH 2; Suhu: 25 °C | (1) ACD |
catatan D | 7.70 | pH 3; Suhu: 25 °C | (1) ACD |
catatan D | 7.71 | pH 4; Suhu: 25 °C | (1) ACD |
catatan D | 7.71 | pH 5; Suhu: 25 °C | (1) ACD |
catatan D | 7.71 | pH 6; Suhu: 25 °C | (1) ACD |
catatan D | 7.70 | pH 7; Suhu: 25 °C | (1) ACD |
catatan D | 7.66 | pH 8; Suhu: 25 °C | (1) ACD |
catatan D | 7.35 | pH 9; Suhu: 25 °C | (1) ACD |
catatan D | 6.61 | pH 10; Suhu: 25 °C | (1) ACD |
catatan P | 7.710±0.709 | Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Massa | 2,7 x 10-5 gram/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 8,5 x 10-5 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,3 x 10-5 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,8 x 10-5 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,7 x 10-5 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,7 x 10-5 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,7 x 10-5 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,8 x 10-5 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,1 x 10-5 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 6,2 x 10-5 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,5 x 10-4 gram/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,8 x 10-5 gram/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Molar | 3,5 x 10-8 mol/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,1 x 10-7 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 4,3 x 10-8 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,6 x 10-8 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,5 x 10-8 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,5 x 10-8 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Kelarutan Molar | 3,5 x 10-8 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,6 x 10-8 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 4,0 x 10-8 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 8,1 x 10-8 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 4,5 x 10-7 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,6 x 10-8 mol/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Berat Molekul | 769,96 dolar AS | ||
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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
Milik | Nilai | Kondisi | Sumber |
Kepadatan | 1,25±0,1 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
Volume Molar | 615,5±7,0 cm3/mol | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Milik | Nilai | Kondisi | Sumber |
Obligasi yang Dapat Diputar Secara Bebas | 14 | (1) ACD | |
Akseptor H | 13 | (1) ACD | |
Donor H | 3 | (1) ACD | |
H Jumlah Donor/Akseptor | 16 | (1) ACD | |
catatan P | 7.710±0.709 | Suhu: 25 °C | (1) ACD |
Berat Molekul | 769,96 dolar AS |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Terkait
Milik | Nilai | Kondisi | Sumber |
Luas Permukaan Kutub | 155 A2 | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
NMR 13C