![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-sianoetil N,N-bis(1- metiletil)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)fosforamidit] (ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-sianoetil N,N-bis(1- metiletil)fosforamidit] (ACI)
Nomor Registri CAS
104992-55-4
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 988.19 | - |
| pKa (Diprediksi) | 7,87±0,43 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)N(C(C)C)C(C)C
SENYUM Isomer
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C (C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
Di ChI
Dalam ChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13- 17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59 -35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/jam1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47- ,51-,69?/m1/s1
Kunci InChI
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Nama Lain untuk Zat ini
Adenosin,N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- [(1,1-dimetiletil)dimetilsilil]-, 3′ - [2-sianoetil bis(1- metiletil)fosforamidit] (9CI)
Spektrum tersedia
Massa
Properti tersedia
Biologis
Kimia
Lipinski
Terkait Struktur
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 5,50x105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,00x106 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Milik | Nilai | Kondisi | Sumber |
| Koc | 61500 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1,64x106 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 1,00x107 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 1,00x107 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 1,00x107 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 1,00x107 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1,00x107 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 1,00x107 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3,20x106 | pH 9; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Koc | 9,24x105 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 8.81 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 11.73 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 11.83 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 11.83 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 11.75 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 9.99 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 11.845±0.715 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 1,2 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,5 x 10-3 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,1 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 9,9 x 10-6 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,4 x 10-6 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,7x10-6g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 2,7x10-6g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,2 x 10-6 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 8,9 x 10-6 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 6,3 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 4,2 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,2 x 10-6 g/L | Air Tanpa Buffer pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,2 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,5 x 10-6 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,1 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,0 x 10-8 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,4 x 10-9 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,7 x 10-9 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,7 x 10-9 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,2 x 10-9 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 9,0 x 10-9 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,4 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 4,2 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 3,2 x 10-9 mol/L | Air Tanpa Buffer pH 7,00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 988.19 | ||
| pKa | 7,87±0,43 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 21 | (1) ACD | |
| H Akseptor | 15 | (1) ACD | |
| H Donor | 1 | (1) ACD | |
| H Jumlah Donor/Akseptor | 16 | (1) ACD | |
| logP | 11.845±0.715 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 988.19 |
| Milik | Nilai | Sumber Kondisi |
| Luas Permukaan Kutub | 178A2 | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 jam NMR
13 C NMR
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