C15H21N5O6 Guanosin, 2′-O-métil-N-(2-métil-1-oxopropil)- (9CI, ACI)
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat Molekul | 367.36 | - |
| Kapadetan (diprediksi) | 1,68±0,1 g/cm3 | Suhu: 20 °C;Pencét: 760 Torr |
| pKa (diprediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
Seuri Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Seuri Isomérik O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C@H](CO)[C@H]1O
InChI
InChI=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3) 9(22)7(4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7- ,9-,10-,14-/m1/s1
InChI Key
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Ngaran séjén pikeun Zat ieu
2'-O-métil-N-(2-métil-1-oxopropil)guanosin (ACI);N2-Isobutiril-2′-O-métilguanosin
Spéktra sadia
1H NMR
13C NMR
Massa
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 10;Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Kaayaan | Sumber |
| Koc | 2.12 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Koc | 12.5 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10;Suhu: 25 °C | (1) ACD |
| logD | -1.26 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | -0.65 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | -0.49 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | -0.47 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | -0.46 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | -0.46 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | -0.47 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | -0.49 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | -0.69 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | -1.34 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 0,55 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,84 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,59 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,55 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,55 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,55 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,55 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,59 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,96 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,4 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,55 g/L | Cai Unbuffered pH 6,00;Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,5 x 10-3 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 9,6 x 10-3 mol / L | pH 1;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,3 x 10-3 mol / L | pH 2;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-3 mol / L | pH 3;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,5 x 10-3 mol / L | pH 4;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,5 x 10-3 mol / L | pH 5;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kalarutan molar | 1,5 x 10-3 mol / L | pH 6;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,5 x 10-3 mol / L | pH 7;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,6 x 10-3 mol / L | pH 8;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,6 x 10-3 mol / L | pH 9;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,012 mol / L | pH 10;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,5 x 10-3 mol / L | Cai Unbuffered pH 6,00;Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 367.36 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kapadetan
| Harta | Nilai | Kaayaan | Sumber |
| Kapadetan | 1,68±0,1 g/cm3 | Suhu: 20 °C;Pencét: 760 Torr | (1) ACD |
| Volume Molar | 217,6±7,0 cm3/mol | Suhu: 20 °C;Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 6 | (1) ACD | |
| H Akséptor | 11 | (1) ACD | |
| H Donor | 4 | (1) ACD | |
| H Donor / Akséptor Jumlah | 15 | (1) ACD | |
| logP | -0,464±0,636 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 367.36 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | Kaayaan | Sumber |
| Wewengkon Permukaan Polar | 147 A2 | (1) ACD | |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
Spéktra sadia
13C NMR
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