![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-metiletil)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidit] (ACI) Gambar Unggulan](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine.png)
C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-metiletil)fosforamidit] (ACI)
Nomer Registry CAS
251647-55-9
H302
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 914.00 | - |
| pKa (Prediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
SMILES kanonik
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6) N(C(C)C)C(C)C
Isomerik SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)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
IngChI
InChI= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27- 26-57-7)40(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33- 14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10- 12,14-23,29-32,38 ,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41- ,45-,65?/m1/s1
Kunci Inchi
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Jeneng Liyane kanggo Zat iki
Guanosin, 5'-O- [bis(4-metoksifenil)fenilmetil]-2′-O-(2-methoxyethyl)-N-(2-metil-1-oksopropil)-, 3′ - [2-sianoetil bis(1- metil)fosforamidit] (9CI); 17: PN: US20030212017 PAGE: 20 pratelan urutan; 18: PN: US20030211606 PAGE: 20
urutan sing diklaim; 19: PN: US20040005569 PAGE: 22 pratelan urutan; 21: PN: US20040006030 PAGE: 23 pratelan urutan; 21: PN: US20040014047 PAGE: 21 pratelan urutan; 21: PN: US20040014049 PAGE: 21 pratelan urutan; 22: PN: US20030198965 PAG
E: 20 urutan sing diklaim; 22: PN: US20040005570 PAGE: 21 pratelan urutan; 22: PN: US20040014048 PAGE: 21 pratelan urutan;
22: PN: US20040014050 PAGE: 21 pratelan urutan; 23: PN: US20040005565 PAGE: 17- 22 pratelan urutan; 23: PN: US20040
014051 PAGE: 23 pratelan urutan; 24: PN: US20040014699 PAGE: 21 pratelan urutan; 25: PN: US20040006029 PAGE: 23 pratelan urutan; 25: PN: WO03106645 PAGE: 73 pratelan urutan; 96: PN: US20040005707 PAGE: 21 urutan sing diklaim
Spectra kasedhiya
13 C NMR
Hetero NMR
Properti kasedhiya
biologi
Kimia
Lipinski
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 121 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2580 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 23500 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 71800 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 89800 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 92100 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 91300 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 82500 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 42200 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 7860 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Koc | 164 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 3480 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 31700 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 96900 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 1,21 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 1,24 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1,23 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 1,11 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 56900 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 10600 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 3.95 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 5.28 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 6.24 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 6.73 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 6.82 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 6.83 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 6.83 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 6.79 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 6.50 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 5.77 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 6,837±0,764 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 4,4 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,34 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,016 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,7 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,6 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,4 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,5 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,9 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,0 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,2 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,5 x 10-4 g/L | Banyu Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 4,8 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,7 x 10-4 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,7 x 10-5 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,9 x 10-6 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 6,2 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,0 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,8 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,9 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,4 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,7 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,9 x 10-7 mol/L | Banyu Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 914.00 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 22 | (1) ACD | |
| H. Akseptor | 17 | (1) ACD | |
| H. Donor | 2 | (1) ACD | |
| H Jumlah Donor / Akseptor | 19 | (1) ACD | |
| logP | 6,837±0,764 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 914.00 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 203 A2 | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1 H NMR
13 C NMR
| Sumber Pernyataan Bahaya Kode | |
| H302 Mbebayani yen ditelan | Klasifikasi & Labeling Badan Kimia Eropa (ECHA). Inventaris - Klasifikasi lan label sing dilaporake - kabar sing paling umum, Badan Kimia Eropa (ECHA) Inventaris Klasifikasi & Label - Klasifikasi lan label sing dilaporake - kabar sing paling serius |
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