![C53H66N7O8PSi NO. CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-sianoetil N,N-bis(1- metiletil)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi NO. CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)phosphoramidit] (ACI) Imej Pilihan](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66N7O8PSi NO. CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-sianoetil N,N-bis(1- metiletil)fosforamidit] (ACI)
Nombor Pendaftaran CAS
104992-55-4
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 988.19 | - |
| pKa (Diramalkan) | 7.87±0.43 | Suhu Paling Berasid: 25 °C |
SENYUM Canonical
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
SENYUMAN Isomerik
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
InChI
InChI= 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/j1 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 Bahan ini
Adenosin,N-benzoil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- [(1,1-dimetil)dimetilsilil]-, 3′ - [2-sianoetil bis(1-metiletil)fosforamidit] (9CI)
Spectra tersedia
Mass
Hartanah tersedia
Biologi
kimia
Lipinski
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 5.50 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 61500 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 9.24 x 105 | 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 |
| Keterlarutan Intrinsik Jisim | 1.2 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.5 x 10-3 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.1 x 10-4 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 9.9 x 10-6 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.4 x 10-6 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.7 x 10-6 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.7 x 10-6 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.2 x 10-6 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.9 x 10-6 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 6.3 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.2 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.2 x 10-6 g/L | Air Tidak Penampan pH 7.00; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.2 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.5 x 10-6 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.1 x 10-7 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.0 x 10-8 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.4 x 10-9 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.7 x 10-9 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.7 x 10-9 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.2 x 10-9 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 9.0 x 10-9 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.4 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.2 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.2 x 10-9 mol/L | Air Tidak Penampan pH 7.00; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 988.19 | ||
| pKa | 7.87±0.43 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Suhu Paling Asas: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 21 | (1) ACD | |
| H Penerima | 15 | (1) ACD | |
| H Penderma | 1 | (1) ACD | |
| H Jumlah Penderma/Penerima | 16 | (1) ACD | |
| logP | 11.845±0.715 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 988.19 |
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 178 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1 H NMR
13 C NMR
![C41H49FN5O8P Cytidine, N-asetil-5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) fosfor amidit] (ACI)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)
![C30H29FN2O7 Uridin, 5'-O-[bis(4-methoxyphenyl)fenilmetil]-2'-deoxy-2'- fluoro- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C34H39N3O8 Cytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pirimidin-6-satu, 2-[[bis(4-metoksi fenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahydro-3-hydroxy-7- metil-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)