![C48H54N7O8P adenosin, n-benzoil-5 ′ -O- [bis (4-metoksifenil) phenylmethyl] -2 ′-O-metil-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) fosfor amidit] (Acyanoethyl N, N-BIS (1-methylethyl) fosfor amidit] (Acyanoethyl N, N-BIS (1-methylethyl) fosfor amidit] (Acyanoethyl N,](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P adenosin, n-benzoil-5 ′ -O- [bis (4-metoksifenil) phenylmethyl] -2 ′-O-metil-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) fosfor amidit] (Acyanoethyl N, N-BIS (1-methylethyl) fosfor amidit] (Acyanoethyl N, N-BIS (1-methylethyl) fosfor amidit] (Acyanoethyl N,
Nomor Registri CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 887.96 | - |
| pKa (diprediksi) | 7,87 ± 0,43 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OC) COC (C = 5C = CC = CC5) (C6 = CC = C6) C = C6) C7 = CC = C6) CC = C = C6 C6) C7 = C7) C7) C = C = C = C = C = C = C = C / C7 C7
Senyum isomer
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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
Inci
Inci = 1S/C48H54N7O8P/C1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (42) 54) 54-31-52-41-44 (50-30) (50-30) 54-31-31-52-41-44 (50-30) (50-30) (50-30) (50-30) (42) 54-31-31-41-41 (50-41) (42) 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5) 24-20-36) 37-21-25-39 (58-6) 26-22-37/H8-13,15-25 (58-6) (58-6) 26-22-37/H8-13.13.13.30.37-6) (58-22) (58-22-37/H8-37/H8-13.37/H8-37/H8-37/H8.30 2-43,47H, 14,28-29H2,1-7H3, (h, 50,51,53,56)/t40-, 42-, 43-, 47-, 64?/M1/S1
Kunci Inchi
Azcgotuyepxhmj-psvhyzma-n
2 nama lain untuk zat ini
Adenosine,N-benzoyl -5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9ci); 5 ′ -O-(4,4 ′ -dimethoxytrityl) -n6-benzoil-2 ′-O-methyladenosine 3 ′ -(2 -cyanoethylN,N-Diisopropylphosphoramidite)
Spektrum tersedia
13 C NMR
Hetero NMR
Massa
Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 4050 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.08 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2.10 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 60800 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Koc | 1830 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 48700 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 4.91 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 1.52 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 1,90 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 1.91 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1.57 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Koc | 5.78 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 95000 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 27500 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.01 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.43 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 8.44 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 8.93 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 9.02 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 9.02 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 8.94 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.51 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.72 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 7.18 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 9.038 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1,4 x 10-5 g/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,014 g/L. | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.3 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.3 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-5 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,3 x 10-5 g/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,3 x 10-5 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-5 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 4,5 x 10-5 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.8 x 10-4 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.8 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-5 g/L | PH AIR TERBACA 6.99; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1,6 x 10-8 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,6 x 10-5 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.0 x 10-7 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.0 x 10-8 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,9 x 10-8 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,5 x 10-8 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 1,5 x 10-8 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,9 x 10-8 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.1 x 10-8 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.1 x 10-7 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,9 x 10-8 mol/L | PH AIR TERBACA 6.99; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 887.96 | ||
| PKA | 7,87 ± 0,43 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 19 | (1) ACD | |
| H akseptor | 15 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor/jumlah akseptor | 16 | (1) ACD | |
| logp | 9.038 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 887.96 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 178 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1 h nmr
13 C NMR
| Kode | Pernyataan Bahaya | Sumber |
| H335 | Dapat menyebabkan iritasi pernapasan | Ahli dikuratori |
| Kode | Pernyataan Bahaya | Sumber |
| H331 | Beracun jika dihirup | Ahli dikuratori |
| H319 | Menyebabkan iritasi mata yang serius | Ahli dikuratori |
| H315 | Menyebabkan iritasi kulit | Ahli dikuratori |
| H311 | Beracun dalam kontak dengan kulit | Ahli dikuratori |
| H301+H311+H331 | Beracun jika ditelan, bersentuhan dengan kulit atau dihirup | Ahli dikuratori |
| H301 | Beracun jika ditelan | Ahli dikuratori |
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![C38H49NO7 1- Pyrrolidinedodecanoic Acid, 2- [[[BIS (4-metoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2s, 4r)-(ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
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