![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) fosforamidit] (ACI) Imej Pilihan](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ) fosforamidit] (ACI)
Nombor Pendaftaran CAS
251647-53-7
H302
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 932.01 | - |
| 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)C1OCCOC)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](OCCOC)[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/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-9- 13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45(44)62-30-29-59-5)56-33-54-43 -46(52-32-53-47(43)56)55-48(58)36-15-10-8-11-16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-,44-,45-,49-,67?/m1 /s1
Kunci InChI
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Nama Lain untuk Bahan ini
Adenosin,N-benzoil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)
fosforamidit] (9CI); 16: PN: US20030211606 MUKA SURAT: 19 urutan yang dituntut; 16: PN: US20030212017 MUKA SURAT: 20 urutan yang dituntut; 17: PN: US20040005569 MUKA SURAT: 22 urutan yang dituntut; 19: PN: US20040006030 MUKA SURAT: 23 urutan yang dituntut; 19: PN: US20040014047
MUKA SURAT: 21 turutan yang dituntut; 19: PN: US20040014049 MUKA SURAT: 21 urutan yang dituntut; 20: PN: US20040005570 MUKA SURAT: 20 dituntut
urutan; 20: PN: US20040014048 MUKA SURAT: 21 urutan yang dituntut; 20: PN: US20040014050 MUKA SURAT: 20 urutan yang dituntut; 21: PN: U
S20040005565 MUKA SURAT: 17- 22 turutan yang dituntut; 21: PN: US20040014051 MUKA SURAT: 23 urutan yang dituntut; 22: PN: US20040014699 MUKA SURAT: 20 urutan yang dituntut; 23: PN: US20040006029 MUKA SURAT: 23 urutan yang dituntut; 23: PN: WO03106645 MUKA SURAT: 73 urutan yang dituntut; 94: P N: US20040005707 MUKA SURAT: 20 urutan yang dituntut
Spectra tersedia
1 H NMR
13 C NMR
Hetero NMR
Hartanah tersedia
Biologi
kimia
Lipinski
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 2680 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 71500 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 7.21 x 105 | 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 | 8.48 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.39 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 40300 | 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 | 1360 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 36300 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 1.42 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 70800 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 20500 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 5.77 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 7.20 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 8.20 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 8.69 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 8.79 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 8.79 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 8.71 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 8.27 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.49 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.95 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 8.803±0.766 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 5.4 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.051 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.9 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.9 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 6.0 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.8 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.8 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 5.8 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.6 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 9.3 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.6 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 5.7 x 10-5 g/L | Air Tidak Penampan pH 6.97; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 5.8 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 5.5 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.0 x 10-6 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 2.0 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.4 x 10-8 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 5.1 x 10-8 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 5.1 x 10-8 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.2 x 10-8 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.7 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.0 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.9 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.1 x 10-8 mol/L | Air Tidak Penampan pH 6.97; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 932.01 | ||
| 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 | 22 | (1) ACD | |
| H Penerima | 16 | (1) ACD | |
| H Penderma | 1 | (1) ACD | |
| H Jumlah Penderma/Penerima | 17 | (1) ACD | |
| logP | 8.803±0.766 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 932.01 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 187 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1 H NMR
13 C NMR
| Sumber Pernyataan Bahaya Kod | |
| H302 Memudaratkan jika tertelan | Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA). Inventori - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Agensi Kimia Eropah (ECHA) Inventori Klasifikasi&Pelabelan - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
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