![C44H49N5O7SI adenósín, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-[(1,1-dímetýl) dímetýlsilýl]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7SI adenosine, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-[(1,1-dímetýl) dímetýlsilýl]-(9ci, ACI) lögð mynd.](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7SI adenósín, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-[(1,1-dímetýl) dímetýlsilýl]-(9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 787.98 | - |
| Þéttleiki (spáð) | 1,23 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 7,87 ± 0,43 | Sýrtasta temp: 25 ° C |
Canonical bros
O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3O [SI] (C) (C) C (C) (C) C) C = 7C = CC = CC7
Isomicer bros
C (OC [C@H] 1O [C@H] ([C@H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C = 3C (N = C2) = C (n C (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Tommur
Inchi = 1s/C44H49N5O7SI/C1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-36-39 (45-27-46-40 (36) 49) 48-41 (51) 29-10-8-8-11-15) 48-41 (51) 29-10-8-8-11-15) 9) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32/h8-25,27-28
45,46,48,51)/T35-, 37-, 38-, 42-/m1/S1
Inchi lykill
Dazigopasnjpcj-gnecsjiwsa-n
2 önnur nöfn fyrir þetta efni
N-bensóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-[(1,1-dímetýletýl) dímetýlsilýl] adenósín (ACI); N6-benzoyl-5′-O- (4,4′- DIMETHOXYTRITYL) -2′-O- (TERT-BUTYLDIMETHYLSILYL) adenósín
Litróf í boði
1H NMR
Hetero nmr
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 1,00 x 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 5,41 x 105 | 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 | 2,01 x 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 6,87 x 106 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 9.08 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 9.38 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 9.39 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 9.19 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 7,53 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 2,73 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 4,48 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1,31 x 105 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 9.62 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 10.15 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 10.27 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 10.29 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 10.29 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 10.28 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 10.19 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 9.75 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 8.97 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 8.43 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 10.291 ± 0,708 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 1,1 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,8 x 10-6 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,4 x 10-6 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,1 x 10-6 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,0 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,0 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,0 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,5 x 10-6 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,2 x 10-5 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 7,6 x 10-5 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-6 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 1,4 x 10-9 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,1 x 10-9 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-9 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,4 x 10-9 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,3 x 10-9 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,3 x 10-9 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 1,3 x 10-9 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,6 x 10-9 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,5 x 10-9 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,8 x 10-8 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 9,6 x 10-8 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,6 x 10-9 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 787.98 | ||
| PKA | 7,87 ± 0,43 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | 1,39 ± 0,10 | Grundvöllurinn: 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 | 1,23 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 639,5 ± 7,0 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 | 14 | (1) ACD | |
| H samþykki | 12 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 14 | (1) ACD | |
| logp | 10.291 ± 0,708 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 787.98 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 139 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
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![C30H30N2O8 Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl]-(9ci, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)