C13H19N5O5 Adenosine, 2′ -O-(2-methocsaitil)- (9CI, ACI)
Uimhir Chláraithe CAS
168427-74-5
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 325.32 | - |
| Fiuchphointe (Tuartha) | 639.0±65.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.70±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 13.12±0.70 | Teocht is Airde: 25 °C |
SMILES Canonical
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
SMILES Isiméireacha
O(CCOC)[C@H]1[C@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InchI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
Eochair InChI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Ainm Eile don tSubstaint seo
2′ -O-(2- Methocsaitile)adenosine (ACI)
Spectra ar fáil
1 H NMR
13 C NMR
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 |
| Fachtóir Bithtiúchana | 1. 18 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 31 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.32 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.32 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.32 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.32 | 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 | 3. 39 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 19.4 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 38.0 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 42.0 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 42.5 | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 42.5 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 42.5 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 42.5 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 0. 12 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 0. 41 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 0. 46 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 0. 46 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 0. 46 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 0. 46 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 0. 46 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 4.2 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 999 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 381 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 55 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 g/L | Uisce Neamh-mhaolaithe pH 8.08; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 0.013 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.07 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.17 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.17 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.029 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.015 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 0.013 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.013 mol/L | Uisce Neamh-mhaolaithe pH 8.08; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 325.32 | ||
| pKa | 13.12±0.70 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 3.35 x 10-17 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 | 1.70±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 191.2±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 | 10 | (1) ACD | |
| H Deontóirí | 4 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 14 | (1) ACD | |
| logP | 0.462±0.647 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 325.32 |
(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 | 138 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 | 639.0±65.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 99.17±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 340.2±34.3 °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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