![C39H37N5O7 adenósín, N-bensóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-metýl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 adenósín, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-metýl- (9ci, ACI) var með mynd](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 adenósín, N-bensóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O-metýl- (9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 687.74 | - |
| Þéttleiki (spáð) | 1,32 ± 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) C3OC) C = 7C = CC = CC7
Isomicer bros
C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C = 3C (n = C2) = C (NC (= 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/C39H37N5O7/C1-47-29-18-14-27 (15-19-29) 39 (26-12-8-5-9-13-26,28-16-20-30 (48-2) 21-17-28) 50-22-31-33 (45) 34 (49-3) 38 (51- 31) 44-24-42-32-35 (40-23-41-36 (32) 44) 43-37 (46) 25-10-6-4-7-11-25/ H4-21,23-24,31,33-34,38,45H, 22H2,1-3H3, (H, 40,41,43,46)/T31-, 33-,
34-, 38-/m1/s1
Inchi lykill
Sarhdaqoznkzcc-cjegosrcsa-n
1 annað nafn fyrir þetta efni
N-bensóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýladenósín (ACI)
Litróf í boði
1H NMR
13c nmr
Messa
Eignir í boði
Líffræðileg
Efni
Þéttleiki
Lipinski
Uppbygging tengd
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 47800 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,63 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2,16 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2,23 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2,23 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2,18 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,79 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 64900 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 10600 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 3110 | 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 | 50200 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1,71 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 2,26 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 2,34 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 2,34 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 2,29 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1,88 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 68000 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 11200 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 3260 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.67 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.21 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.25 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.80 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.02 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.49 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.344 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 2,7 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,2 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-6 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,8 x 10-6 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,8 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,8 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,8 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,4 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,6 x 10-6 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,7 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 | 3,4 x 10-6 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 3,9 x 10-9 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-8 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,4 x 10-9 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,1 x 10-9 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,0 x 10-9 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,0 x 10-9 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 4,0 x 10-9 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 4,9 x 10-9 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,4 x 10-8 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 8,3 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 | 4,9 x 10-9 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 687.74 | ||
| 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 | 1,32 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 518,5 ± 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 | 12 | (1) ACD | |
| H samþykki | 12 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 14 | (1) ACD | |
| logp | 7.344 ± 0,723 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 687.74 |
(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
Litróf í boði
13c nmr
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