C15H21N5O6 Guanóisín, 2′-O-meitil-N-(2-meitil-1-ocsapróipil)- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 367.36 | - |
| Dlús (Tuartha) | 1.68±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 9.16±0.20 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
SMILES isiméireacha 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
Eochair InChI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Ainmneacha Eile don tSubstaint seo
2′-O-Meitil-N-(2-meitil-1-ocsapropil)guanósín (ACI);N2-Isabúitiril-2′-O-meitilguanóisín
Spectra ar fáil
1H NMR
13C NMR
Aifreann
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.0 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 10;Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 2.12 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 8.67 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 12.6 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 13.3 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 13.3 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 13.3 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 13.2 | pH 7;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 12.5 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 7.85 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 1.76 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | -1.26 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | -0.65 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | -0.49 | pH 3;Teocht: 25 °C | (1) ACD |
| logD | -0.47 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | -0.46 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | -0.46 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | -0.47 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | -0.49 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | -0.69 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | -1.34 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 0.55 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.5 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.84 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.59 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.55 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.55 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.55 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.55 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.59 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.96 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.4 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.55 g/L | Uisce Neamh-mhaolaithe pH 6.00;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.5 x 10-3 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 9.6 x 10-3 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-3 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-3 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-3 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-3 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 1.5 x 10-3 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-3 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.6 x 10-3 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.6 x 10-3 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.012 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.5 x 10-3 mol/L | Uisce Neamh-mhaolaithe pH 6.00;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 367.36 | ||
| pKa | 9.16±0.20 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.68±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 217.6±7.0 cm3/mól | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 6 | (1) ACD | |
| H Glacadóirí | 11 | (1) ACD | |
| H Deontóirí | 4 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 15 | (1) ACD | |
| logP | -0.464±0.636 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 367.36 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 147 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
Spectra ar fáil
13C NMR
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