118 RE36H44N2O8SI URIDINE, 5'-O-O-O-O-O-O-O-O-O-2 '(1,1- dimethylethyl) dimethylsilyl]-(9CI, ACI)
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 660.83 | - |
Dlús (tuartha) | 1.24 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. |
Smiles canóracha O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O [Si] (C) (C) C (C) C.
Smiles isiméireach
C (OC [C@H] 1o [C@H] ([C@H] (O [Si] (C (C) (C) C) (C) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C = C = C = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = C ([C) (C5) C (C5) C (C5) C = CC = CC = CC = C ([C) C3) ([C4) C = c = c = c = c =
Orlach
Inchi = 1S/C36H44N2O8SI/C1-35 (2,3) 47 (6,7) 46-32-31 (40) 29 (45-33 (32) 38-22-21-30 (39) 37-34 (38) 41) 23-44-36 (24-11-9-8-10-12-24,25) 17-27 (42-4) 18-14-25) 26-15-19-28 (43-5) 20-16-26/H8-22,29,31-33,40H, 23H2,1-7H3, (H, 37,39,41)/T29-, 31-, 32-, 33-/M1/S1
Eochair Inchi
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 ainm eile don tsubstaint seo
5'-o-o-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2′-O-TERT-BUYLDIMETHYLSYL-5′-O-O-o-o-o-o-o-tert-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-o-ob.
Speictrim ar fáil
1H NMR
13c NMR
Hetero NMR
Mir
Airíonna atá ar fáil |
Bitheolaíoch |
Ceimiceán |
Dlús |
Lipinski |
A bhaineann le struchtúr |
Bitheolaíoch
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 2.21 x 105 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.21 x 105 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.21 x 105 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.21 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.21 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.21 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.20 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2.12 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.54 x 105 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 42500 | pH 10; TEMP: 25 ° C. | (1) ACD |
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Ceimiceán
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 2.33 x 105 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 2.33 x 105 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 2.33 x 105 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 2.33 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 2.33 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 2.33 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 2.32 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 2.23 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 1.62 x 105 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 44800 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 7.33 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 7.32 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 7.18 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 6.62 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 7.334 ± 0.643 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 3.5 x 10-5 g/L. | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.6 x 10-5 g/L. | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 5.0 x 10-5 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.9 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.5 x 10-5 g/L. | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 5.3 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.5 x 10-8 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 7.6 x 10-8 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.8 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 5.3 x 10-8 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 660.83 | ||
pka | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. | (1) ACD |
.
Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.24 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 528.8 ± 5.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 13 | (1) ACD | |
H Glacadóirí | 10 | (1) ACD | |
Hontóirí H. | 2 | (1) ACD | |
H suim deontóra/glacadóir | 12 | (1) ACD | |
logáil | 7.334 ± 0.643 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 660.83 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 116 A2 | (1) ACD |
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Speictrim ar fáil
1H NMR
13c NMR