C13H19N5O5 adenosine, 2 ′ -o- (2-methoxyethyl)-(9ci, ACI)
Uimhir Chlárlann CAS
168427-74-5
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 325.32 | - |
Fiuchphointe (tuartha) | 639.0 ± 65.0 ° C. | Brúigh: 760 Torr |
Dlús (tuartha) | 1.70 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 13.12 ± 0.70 | An luas is aigéid: 25 ° C. |
Smiles Canónach
Occ1oc (n2c = nc = 3c (= nc = nc32) n) c (occ) C1O
Smiles isiméireach
O (ccoc) [c@h] 1 [c @@ h] (o [c@h] (CO) [c@h] 1o) n2c = 3c (n = c2) = c (n) n = CN3
Orlach
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 ar an tsubstaint seo
2 ′ -O-(2-methoxyethyl) adenosine (ACI)
Speictrim ar fáil
1 H NMR
13 C NMR
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Dlús
Lipinski
A bhaineann le struchtúr
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.18 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.31 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.32 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.32 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.32 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.32 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 1.0 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 1.0 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 3.39 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 19.4 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 38.0 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 42.0 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 42.5 | pH 7; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 42.5 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 42.5 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 42.5 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | -1.94 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | -1.48 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | -0.64 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 0.12 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 0.41 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 0.46 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 0.46 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 0.46 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 0.46 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 0.46 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 0.462 ± 0.647 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 4.2 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 999 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 381 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 55 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.9 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.2 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.2 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.2 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.2 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.2 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.2 g/l | Uisce neamh -mhaolaithe pH 8.08; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 0.013 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.07 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.17 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.17 mol/L. | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.029 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.015 mol/L. | pH 5; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 0.013 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | Uisce neamh -mhaolaithe pH 8.08; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 325.32 | ||
pka | 13.12 ± 0.70 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | 3.82 ± 0.10 | An luas is bunúsaí: 25 ° C. | (1) ACD |
Brú gaile | 3.35 x 10-17 Torr | TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.70 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 191.2 ± 7.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 8 | (1) ACD | |
H Glacadóirí | 10 | (1) ACD | |
Hontóirí H. | 4 | (1) ACD | |
H suim deontóra/glacadóir | 14 | (1) ACD | |
logáil | 0.462 ± 0.647 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 325.32 |
.
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 138 A2 | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fiuchphointe | 639.0 ± 65.0 ° C. | Brúigh: 760 Torr | (1) ACD |
Eantalpacht an ghalraithe | 99.17 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
Bonnphointe | 340.2 ± 34.3 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
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