C31H32N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-meitil- (9c I, ACI)
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 560.60 | - |
Dlús (tuartha) | 1.35 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. |
Smiles Canónach 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) C2OC
Smiles isiméireach C (OC [C@H] 1o [C@H] ([C@H] (OC) [C @@ H] 1o) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = CC = C5)
Orlach
Inchi = 1S/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35) 28 (39-3) 29 (41-25)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19H2,1-3H3, (H, 32,34,36)/T25-, 27-, 28-, 29-/M1/S1
Eochair Inchi
MfDhavfjdsrpkc-yxinzvnlsa-n
2 ainm eile don tsubstaint seo
5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-methyluridine (ACI); 5′-O- (4,4′-DIMETHOXYTRITYL) -2′-O-Methyluridine
Speictrim ar fáil
1H 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 | 1240 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1240 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1240 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1240 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1240 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1240 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1230 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1190 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 861 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 238 | pH 10; TEMP: 25 ° C. | (1) ACD |
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Ceimiceán
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 5690 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 5690 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 5690 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 5690 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 5690 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 5690 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 5670 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 5450 | pH 8; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 3960 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 1100 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 4.37 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 4.35 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 4.21 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 3.66 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.372 ± 0.582 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 3.7 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.8 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 5.3 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.9 x 10-3 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.7 x 10-4 g/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 6.6 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.8 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 9.4 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.4 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.6 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 560.60 | ||
pka | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. | (1) ACD |
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Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.35 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 412.9 ± 5.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 11 | (1) ACD | |
H Glacadóirí | 10 | (1) ACD | |
Hontóirí H. | 2 | (1) ACD | |
H suim deontóra/glacadóir | 12 | (1) ACD | |
logáil | 4.372 ± 0.582 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 560.60 |
.
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