118 RE36H44N2O8SI Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-[(1,1- dímetýl) dímetýlsilýl]-(9ci, ACI)
Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
Mólmassa | 660.83 | - |
Þéttleiki (spáð) | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (spáð) | 9,39 ± 0,10 | Sýrtasta temp: 25 ° C |
Canonical bros 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) C.
Isomicer bros
C (OC [C@H] 1O [C@H] ([C@H] (O [Si] (C (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 = C4) C5 = CC = CC = C5
Tommur
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 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
Inchi lykill
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 önnur nöfn fyrir þetta efni
5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-[(1,1-dímetýl) dímetýlsílýl] uridín (ACI); 2′-O-Tert-Butyldimethylsilyl-5′-O- (4,4′- DIMETHOXYTRITYL) URIDINE
Litróf í boði
1H NMR
13c nmr
Hetero nmr
Messa
Eignir í boði |
Líffræðileg |
Efni |
Þéttleiki |
Lipinski |
Uppbygging tengd |
Líffræðileg
Eign | Gildi | Ástand | Uppspretta |
Bioconcentration Factor | 2,21 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,21 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,21 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,21 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,21 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,21 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,20 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 2,12 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1,54 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 42500 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
Eign | Gildi | Ástand | Uppspretta |
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 |
Eign | Gildi | Ástand | Uppspretta |
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 |
logd | 7.33 | pH 1; Temp: 25 ° C. | (1) ACD |
logd | 7.33 | pH 2; Temp: 25 ° C. | (1) ACD |
logd | 7.33 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 7.33 | pH 4; Temp: 25 ° C. | (1) ACD |
logd | 7.33 | pH 5; Temp: 25 ° C. | (1) ACD |
logd | 7.33 | pH 6; Temp: 25 ° C. | (1) ACD |
logd | 7.33 | pH 7; Temp: 25 ° C. | (1) ACD |
logd | 7.32 | pH 8; Temp: 25 ° C. | (1) ACD |
logd | 7.18 | pH 9; Temp: 25 ° C. | (1) ACD |
logd | 6.62 | pH 10; Temp: 25 ° C. | (1) ACD |
logp | 7.334 ± 0,643 | Temp: 25 ° C. | (1) ACD |
Massa eðlislægni | 3,5 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,6 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
Massa leysni | 5,0 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
Massa leysni | 1,9 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,5 x 10-5 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
Molar innri leysni | 5,3 x 10-8 mól/l | Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
Eign | Gildi | Ástand | Uppspretta |
Molar leysni | 5,3 x 10-8 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,5 x 10-8 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
Molar leysni | 7,6 x 10-8 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
Molar leysni | 2,8 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
Molar leysni | 5,3 x 10-8 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
Mólmassa | 660.83 | ||
PKA | 9,39 ± 0,10 | Sýrtasta temp: 25 ° C | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
Eign | Gildi | Ástand | Uppspretta |
Þéttleiki | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Mólmagn | 528,8 ± 5,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Eign | Gildi | Ástand | Uppspretta |
Frjálslega snúningsbönd | 13 | (1) ACD | |
H samþykki | 10 | (1) ACD | |
H styrktaraðilar | 2 | (1) ACD | |
H gjafa/samþykki fjárhæð | 12 | (1) ACD | |
logp | 7.334 ± 0,643 | Temp: 25 ° C. | (1) ACD |
Mólmassa | 660.83 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
Eign | Gildi | Ástand | Uppspretta |
Polar yfirborð | 116 A2 | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr