C13H19N5O6 Guanóisín, 2′ -O-(2-methocsaitil)- (9CI, ACI)
Uimhir Chláraithe CAS
473278-54-5
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 341.32 | - |
| Fiuchphointe (Tuartha) | 715.0±70.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.81±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 13.20±0.70 | Teocht is Airde: 25 °C |
SMILES Canonical
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
SMILES Isiméireacha
O(CCOC)[C@H]1[C@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3
InchI
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3,14,16,17,21)/t6-,8-,9- ,12-/m1/s1
Eochair InChI
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Ainm Eile don tSubstaint seo
2′ -O-(2- Methocsaitile)guanóisín (ACI)
Airíonna ar fáil
Optúil agus Scaipthe
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Cumhacht Rothlach Optúil | -51 deg-mL/g-dm | c: 1.4 g/100ml;Tuaslagóir: Déchlóraimeatán;λ: 589.3 nm;Teocht: 25 °C | (1) CAS |
| Cumhacht Rothlach Optúil | Féach Téacs Iomlán | (2) CAS |
(1) Wen, Ke;Iris na Ceimice Orgánach, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke;Iris na Ceimice Orgánach, (2002), 67(22), 7887-7889, CAplus
| Maoin | Luach | Foinse Coinníoll |
| Leáphointe | Féach Téacs Iomlán | (1) CAS |
(1) Taj, Shabbir Ali S.;Núiclé-sídí, Núicléatídí & Aigéid Núicléacha, (2008), 27(9), 1024-1033, CAplus
Spectra ar fáil
1 H NMR
13 C NMR
IR
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Dlús
Lipinski
Struchtúr Gaolmhar
Teirmeach
| 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 |
| Maoin | Luach | Coinníoll | Foinse |
| 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)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 1.0 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 1.0 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 4.27 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 8.49 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 9.43 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 9.54 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 9.55 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 9.55 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 9.55 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 9.54 | pH 10;Teocht: 25 °C | (1) ACD |
| logD | -2.65 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | -1.84 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | -1.08 | pH 3;Teocht: 25 °C | (1) ACD |
| logD | -0.78 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | -0.74 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | -0.73 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | -0.73 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | -0.73 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | -0.73 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | -0.73 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | -0.730±0.568 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 0.44 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 38 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.5 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Aifreann | 0.96 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.48 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.44 g/L | Uisce Neamh-mhaolaithe pH 7.20;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.3 x 10-3 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.11 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.016 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.8 x 10-3 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-3 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-3 mol/L | Uisce Neamh-mhaolaithe pH 7.20;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 341.32 | ||
| pKa | 13.20±0.70 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.00±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 1.86 x 10-21 Torr | Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.81±0.1 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 188.5±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)
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 8 | (1) ACD | |
| H Glacadóirí | 11 | (1) ACD | |
| H Deontóirí | 5 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 16 | (1) ACD | |
| logP | -0.730±0.568 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 341.32 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 153 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 715.0±70.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 109.72 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 386.2±35.7 °C | (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
13C NMR
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