C13H19N5O5 Adenosine, 2′-O-(2-meatocsaeitile)- (9CI, ACI)
Uimhir Chlárúcháin CAS
168427-74-5
| Príomhairíonna 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; Brú: 760 Torr |
| pKa (Tuartha) | 13.12±0.70 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
Gáirí 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/h5-7,9-10,23,H1-7,9-10,23,H5-7,9-10,23,H (H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Eochair InChI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Ainm Eile don tSubstaint seo
2′ -O-(2-Meatocsaieitile)adainóisín (ACI)
Speictrim atá ar fáil
1H NMR
13C NMR
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Dlús
Lipinski
Struchtúr Gaolmhar
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.0 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.18 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.31 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.32 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.32 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.32 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.32 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 42.5 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 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 |
| Intuaslagthacht Intreach Mais | 4.2 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 999 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 381 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 55 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 9.4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.9 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 g/L | Uisce Gan Maolán pH 8.08; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 0.013 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.07 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.17 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.17 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.029 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.015 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 0.013 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.013 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.013 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.013 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.013 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 0.013 móil/L | Uisce Gan Maolán pH 8.08; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 325.32 | ||
| pKa | 13.12±0.70 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gaile | 3.35 x 10-17 Torr | Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.70±0.1 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 191.2±7.0 cm3/mol | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 8 | (1) ACD | |
| Glacadóirí H | 10 | (1) ACD | |
| Deontóirí H | 4 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 14 | (1) ACD | |
| logP | 0.462±0.647 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 325.32 |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polach | 138 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 639.0±65.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eintalpacht Galúcháin | 99.17±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Pointe Splanc | 340.2±34.3 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR
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