![C45H56N7O9P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-methyl- 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)
![C45H56N7O9P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-métilétil) fosforamidit] (ACI) Gambar Unggul](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P Guanosin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-métilétil) fosforamidit] (ACI)
Nomer pendaptaran CAS
150780-67-9
H303
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat Molekul | 869.94 | - |
| pKa (diprediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)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](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-)
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34( 55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
InChI Key
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Ngaran séjén pikeun Zat ieu
Guanosin, 5'-O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-métil-N-(2-métil-1-oksopropil)-, 3′ - [2-sianoétil bis(1-métilétil) fosforamidit] (9CI)
Spéktra sadia
13 C NMR
Hétéro NMR
Pasipatan sadia
Biologis
Kimia
Lipinski
Struktur Patali
| Harta | Nilai | Kaayaan | Sumber |
| Faktor Biokonsentrasi | 183 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3890 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 35500 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,08 x 105 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,36 x 105 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,39 x 105 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,38 x 105 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,24 x 105 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 63600 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 11900 | 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 | 220 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 4680 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 42600 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 1,30 x 105 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 1,63 x 105 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 1,67 x 105 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 1,65 x 105 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 1,49 x 105 | pH 8;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Koc | 76400 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 14200 | pH 10;Suhu: 25 °C | (1) ACD |
| logD | 4.19 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | 5.52 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | 6.48 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | 6.96 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | 7.06 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | 7.07 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | 7.07 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | 7.02 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | 6.73 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | 6.00 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | 7,072±0,721 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 1,2 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,096 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,3 x 10-3 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,8 x 10-4 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,6 x 10-4 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,2 x 10-4 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,2 x 10-4 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,2 x 10-4 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,4 x 10-4 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,7 x 10-4 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,4 x 10-3 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,2 x 10-4 g/L | Cai Unbuffered pH 7,00;Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,4 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-4 mol / L | pH 1;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,0 x 10-6 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,5 x 10-7 mol / L | pH 3;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,8 x 10-7 mol / L | pH 4;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-7 mol / L | pH 5;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-7 mol / L | pH 6;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kalarutan molar | 1,4 x 10-7 mol / L | pH 7;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-7 mol / L | pH 8;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,1 x 10-7 mol / L | pH 9;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-6 mol / L | pH 10;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-7 mol / L | Cai Unbuffered pH 7,00;Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 869.94 | ||
| 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 | 19 | (1) ACD | |
| H Akséptor | 16 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Donor / Akséptor Jumlah | 18 | (1) ACD | |
| logP | 7,072±0,721 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 869.94 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Wewengkon Permukaan Polar | 194 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
| Kodeu | Pernyataan Hazard | Sumber |
| H303 | Bisa ngabahayakeun lamun ditelan | Ahli Curated |
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