![C53H66N7O8PSI: 104992-55-4 '104992-55-4' -O- [BIS (BIS (4-metoxyphenyl) fenilmetilia] -2 '- o- [(1,1-dimethylethyl) dimethylsilyl] -, 3' - [2-Cianoethyl n, N-BIS (1- metiletiloa) fosforamidita] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSI: 104992-55-4 '104992-55-4' -O- [BIS (BIS (4-metoxyphenyl) fenilmetilia] -2 '- o- [(1,1-dimethylethyl) dimethylsilyl] -, 3' - [2-Cianoethyl n, N-BIS (1- metiletilia) fosforamidita] (ACI) Nabarmendutako irudia](https://cdn.globalso.com/nvchem/C53H66N7O8PSi.png)
C53H66N7O8PSI: 104992-55-4 '104992-55-4' -O- [BIS (BIS (4-metoxyphenyl) fenilmetilia] -2 '- o- [(1,1-dimethylethyl) dimethylsilyl] -, 3' - [2-Cianoethyl n, N-BIS (1- metiletiloa) fosforamidita] (aci)
CAS Erregistroaren zenbakia
104992-55-4
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 988.19 | - |
| pka (aurreikusita) | 7,87 ± 0,43 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
N # CCCOP (OC1C (OC (= NC = NC = 3C) nc (= o) c = 4c = cc4) c1o [si] c = 4C = cc4) c1o [c) c (c) c (c) c) coc (c = cc = cc = cc5) (c6 = cc = c (cc = c (oc) c = c6) c = c6) c7 = Cc = c (oc) 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) (n = h] (n = h] (n) (nc) = c (nc (o) c4 = cc = cc = c4) N = CN3) (C5 = CC) C = C5) (C6 = CC = c (oc) c = c6) c7 = cc = cc = c7
Inchi
INCHI = 1S / C53H66N7O8PSI / C1-36 (2) 60 (37 (37 (37 (37 (37 (37 (37 (37 (37) 60) 67-46-44 (33-64-53 (39-21-16-16-22-39,40-23-27-42 (62-8) 28-24-40 ) 41-25-29-43 (63-9) 30-26-41) 66-51 (47-5) 66-51 (47) 52 (5,6) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-59 (45-34-56-49 (61) 38-50 (61) 38-20-20-20-20-20-38 / h1 2-17,19-30,34-37,44,46-47,5,46-33: 18,32-33h2,1-11h3: (H, 55,56,58,61) / t44-, 46-, 47-, 51-, 51-, 69? / M1 / s1
Inchi gakoa
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Substantzia honetarako beste izen bat
Adenosina,N-benzoyl-5 '-O- [bis (4-metoxyphenyl) fenilmetil] -2 '-O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 '- [2-Cianoethil bis (metiletilia) fosforamidita] (9ci)
Espektroak eskuragarri
Mordo
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 5,50 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | 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 | 1,00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,00 x 106 | 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 | 61500 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1,64 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 1,00 x 107 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3,20 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Koc | 9,24 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
| sintika | 8,81 | pH 1; Temp: 25 ° C | (1) ACD |
| sintika | 10,24 | PH 2; Temp: 25 ° C | (1) ACD |
| sintika | 11,24 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | 11,73 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 11,83 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 11,83 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 11,75 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 11,31 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 10,53 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 9,99 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 11.845 ± 0,715 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 1,2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,5 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1.1 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 9,9 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3.4 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 2,7 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 2,7 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,2 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 8,9 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 6,3 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 4.2 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,2 x 10-6 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 1.2 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,5 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3.4 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,7 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,7 x 10-9 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,2 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun molarra | 9,0 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,4 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 4,2 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,2 x 10-9 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 988.19 | ||
| 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 | 21 | (1) ACD | |
| H Onartzaileak | 15 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H emaile / onartzaileen batura | 16 | (1) ACD | |
| logpp | 11.845 ± 0,715 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 988.19 |
| Jabetasun | Balio | Egoeraren iturria |
| Azalera polarra | 178 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Kimika Aurreratuaren Garapena (ACD / LABS) Softwarea v11.02 (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1 h nmr
13 c nmr
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