![C48H54N7O8P adenosina, n-benzoyl-5 '-o- [bis (4-metoxyphenyl) fenilmetilia] -2' - O-metil-, 3 '- [2-Cianoethyl n, N-BIS (metilethyl) fosforoa] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P adenosina, n-benzoyl-5 '-o- [bis (4-metoxyphenyl) fenilmetilia] -2' - o-metil - 3 '- [2-Cianoethyl n, N-BIS (metilethyl) fosforoa (ACI) irudia](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P adenosina, n-benzoyl-5 '-o- [bis (4-metoxyphenyl) fenilmetilia] -2' - O-metil-, 3 '- [2-Cianoethyl n, N-BIS (metilethyl) fosforoa] (ACI)
CAS Erregistroaren zenbakia
110782-31-5
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 887,96 | - |
| pka (aurreikusita) | 7,87 ± 0,43 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
N # CCCOP (OC1C (OC (= NC = NC = 3C) C1C) C1) COC (c = 5c = cc) c = c6) c7 = c6) c = c7) n (c (c) c) c (c) c
Irribarre isomerikoak
C (oc [c @@ h] 1 [c @@ h] c (c) c) occc # n) [c) c) [c) c) [c) c) [c) c) [c) [c) [c) c) [c) c) [c) c) [c) [c) [c) "[c) c) [c) [c) C (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c48h54n7O8P / C1-32 (2) 55 (33 (33 (33 )-49-49) 63-42-40 (61-47 (43 (43) 59-31-52-41-44 (50-30-51-45 (41) 54) 53-46 (5) 6) 34-15-10-8-16-34) 29-60-48 (35-17-13-13-35-36-19-36 (57-5) 24-20-36) 37-21-25-39 (58-6) 26-22-37 / h8-13,15-26,30-33,40,4 2-43,47h, 14,28-29H2,1-7h3, (H, 50.51,53,56) / t40-, 42-, 43-, 47-, 64? / M1 / s1
Inchi gakoa
Azcgotuyepxhmj-psvhyzmama-n
2 substantzia honetarako beste izen batzuk
Adenosina,N-benzoyl-5 '-O- [bis (4-metoxyphenyl) fenilmetil] -2 '-O-methyl-, 3 '- [2-2-Cianoethil bis (metiletilia) fosforamidita] (9ci); 5 '-O- (4,4 '-Dimethoxytrityl) -n6-benzoyl-2' -O-methyladenosine 3 '- (2 ziananetiloaN,N-diisopropilfosforamidita)
Espektroak eskuragarri
13 c nmr
Hetero nmr
Mordo
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 4050 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2.10 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 60800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Baldintza | Iturri |
| Koc | 1830 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 48700 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 4.91 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1,52 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1,90 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1,91 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,57 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Koc | 5,78 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 95000 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 27500 | pH 10; Temp: 25 ° C | (1) ACD |
| sintika | 6060 | pH 1; Temp: 25 ° C | (1) ACD |
| sintika | 7,13 | PH 2; Temp: 25 ° C | (1) ACD |
| sintika | 8,44 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | 8,93 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 9.02 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 9.02 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 8,94 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 8,51 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 7,92 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 7,18 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 9.038 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,014 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,3 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,3 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,7 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 4,5 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 2,8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 9,8 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,7 x 10-5 g / l | URA EZ DUTEN PH 6,99; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 1,6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,0 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,9 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun molarra | 1,5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,9 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 5.1 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3.1 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,9 x 10-8 mol / l | URA EZ DUTEN PH 6,99; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 887,96 | ||
| pka | 7,87 ± 0,43 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | 3.45 ± 0,70 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 19 | (1) ACD | |
| H Onartzaileak | 15 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H emaile / onartzaileen batura | 16 | (1) ACD | |
| logpp | 9.038 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 887,96 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Egoeraren iturria |
| Azalera polarra | 178 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1 h nmr
13 c nmr
| Klabe | Arriskuen adierazpena | Iturri |
| H335 | Arnas narritadura sor dezake | Komisarioa aditua |
| Klabe | Arriskuen adierazpena | Iturri |
| H331 | Arnasa bada | Komisarioa aditua |
| H319 | Begien narritadura larria eragiten du | Komisarioa aditua |
| H315 | Larruazaleko narritadura eragiten du | Komisarioa aditua |
| H311 | Toxikoa larruazalean kontaktuan | Komisarioa aditua |
| H301 + H311 + H331 | Toxikoa irentsi bada, larruazala edo arnastearekin harremanetan | Komisarioa aditua |
| H301 | Toxikoa irentsi bada | Komisarioa aditua |
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