![C41H41N5O8 adenósín, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O- (2-metoxýetýl)-(9Ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 adenósín, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O- (2-metoxýetýl)-(9ci, ACI) lögun mynd](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 adenósín, N-benzóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′- O- (2-metoxýetýl)-(9Ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 731.79 | - |
| Bræðslumark (tilrauna) | 119-121 ° C. | - |
| Þéttleiki (spáð) | 1,31 ± 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) C3OCCOC) C = 7C = CC = CC7
Isomicer bros
C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [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/C41H41N5O8/C1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34) 46) 45-39 (48) 27-10-6-4-7-11 41 (28-12-8-5-9-13-28,29-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30/H4-21,25-26,33,35-36,40,47H, 22-24H2,1-3H3, (H, 42,43,45,48)/T33-, 35-, 36-, 40-/m1/S1
Inchi lykill
KevmxgndtkpSMC-MumpVVMASA-n
16 önnur nöfn fyrir þetta efni
N-bensóýl-5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O- (2-metoxýetýl) adenósín (ACI); 17: PN: US20030211606 Page: 19 krafist röð; 18: PN: US20040005569 Bls: 22 kröfur um röð; 20: PN: US20040006030 Page: 23 krafist röð; 20: PN: US20040014047 Page: 21 krafist röð; 20: PN: US20040014049 Bls: 21 krafist röð; 21: PN: US20040005570 PAG
E: 20 krafist röð; 21: PN: US20040014048 Bls: 21 krafist röð; 21: PN: US20040014050 Page: 20 krafist röð; 22: PN: US20040005565 Page: 17- 22 Kröfur röð; 22: PN: US20040014051 Page: 23 krafist röð; 23: PN: US20040 014699 Bls: 20 krafist röð; 24: PN: US20040006029 Bls: 23 kröfur um röð; 24: PN: WO03106645 Bls: 73 Kröfur röð; 5′-dímetoxýtrityl-2′-O- (2-metoxýetýl) -N6-benzóýl adenósín; 95: PN: US20040005707 Page: 20 krafist röð
| Eignir í boði |
| Hitauppstreymi |
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Bræðslumark | 119-121 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, Capus
Litróf í boði
1H NMR
13c nmr
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 31700 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,08 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,43 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,48 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,48 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,45 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1,19 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 43000 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 7050 | pH 9; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 2060 | 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 | 37400 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1,28 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 1,69 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 1,74 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 1,74 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 1,71 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1,40 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 50700 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 8320 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 2430 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.44 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 6.97 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.09 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.11 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.11 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.10 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.01 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.57 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 5.78 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.25 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.109 ± 0,766 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 5,6 x 10-6 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,6 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 7,3 x 10-6 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,8 x 10-6 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,6 x 10-6 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,6 x 10-6 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,7 x 10-6 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 7,0 x 10-6 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Massa leysni | 1,9 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,2 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,0 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 7,0 x 10-6 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 7,6 x 10-9 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,6 x 10-8 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,0 x 10-8 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,9 x 10-9 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,7 x 10-9 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,7 x 10-9 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 7,8 x 10-9 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 9,6 x 10-9 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,6 x 10-8 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,6 x 10-7 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,5 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 9,5 x 10-9 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 731.79 | ||
| 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 | 1,31 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 556,9 ± 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 | 15 | (1) ACD | |
| H samþykki | 13 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 15 | (1) ACD | |
| Eign | Gildi | Ástand | Uppspretta |
| logp | 7.109 ± 0,766 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 731.79 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 148 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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