![C47H60N7O10P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-métilétil)fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H60N7O10P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-métilétil)fosforamidit] (ACI) Gambar Unggul](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine.png)
C47H60N7O10P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-métilétil)fosforamidit] (ACI)
Nomer pendaptaran CAS
251647-55-9
H302
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 914.00 | - |
| pKa (diprediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
SMILES Canonical
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
InChI
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
InChI Key
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Ngaran séjén pikeun Zat ieu
Guanosin, 5'-O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-N-(2-métil-1-oxopropyl)-, 3′ - [2-sianoétil bis(1- métilétil)fosforamidit] (9CI); 17: PN: US20030212017 kaca: 20 ngaku runtuyan; 18: PN: US20030211606 KACA: 20
runtuyan ngaku; 19: PN: US20040005569 kaca: 22 urutan ngaku; 21: PN: US20040006030 kaca: 23 ngaku runtuyan; 21: PN: US20040014047 kaca: 21 ngaku runtuyan; 21: PN: US20040014049 kaca: 21 ngaku runtuyan; 22: PN: US20030198965 PAG
E: 20 ngaku runtuyan; 22: PN: US20040005570 kaca: 21 ngaku runtuyan; 22: PN: US20040014048 kaca: 21 ngaku runtuyan;
22: PN: US20040014050 kaca: 21 ngaku runtuyan; 23: PN: US20040005565 kaca: 17- 22 urutan ngaku; 23: PN: US20040
014051 kaca: 23 ngaku runtuyan; 24: PN: US20040014699 kaca: 21 ngaku runtuyan; 25: PN: US20040006029 kaca: 23 urutan ngaku; 25: PN: WO03106645 kaca: 73 ngaku runtuyan; 96: PN: US20040005707 HALAMAN: 21 urutan ngaku
Spéktra sadia
13 C NMR
Hétéro NMR
Pasipatan sadia
Biologis
Kimia
Lipinski
Struktur Patali
| Harta | Nilai | kaayaan | 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) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | kaayaan | 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 |
| Harta | Nilai | kaayaan | 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 |
| Kalarutan Intrinsik Massa | 4,4 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,34 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,016 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,7 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,7 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,6 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,4 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,5 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,9 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,0 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,2 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,5 x 10-4 g/L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 4,8 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,7 x 10-4 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,7 x 10-5 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,9 x 10-6 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 6,2 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,0 x 10-7 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,8 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,9 x 10-7 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,4 x 10-7 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-6 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,7 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,9 x 10-7 mol / L | Cai Unbuffered pH 6,99; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 914.00 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 22 | (1) ACD | |
| H Akséptor | 17 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Donor / Akséptor Jumlah | 19 | (1) ACD | |
| logP | 6,837±0,764 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 914.00 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Wewengkon Permukaan Polar | 203 A2 | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1 H NMR
13 C NMR
| Sumber Pernyataan Hazard Kode | |
| H302 Ngabahayakeun lamun ditelan | Klasifikasi & Labeling Badan Kimia Éropa (ECHA). Inventaris - Klasifikasi sareng labél anu dibéjakeun - béwara paling umum, Badan Kimia Éropa (ECHA) Inventaris Klasifikasi & Labeling - Klasifikasi sareng panyiri dibéjakeun - béwara paling serius |
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