![C42H52N5O9P Cytidine, n-acetyl-5 '-o- [bis (4-metoxyphenyl) fenilmetilia] -2' -o- metil-, 3 '- [2-Cianoethyl n, N-BIS (metilethil) fosforamidita] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidine, n-acetyl-5 '-o- [BIS (4-metoxyphenyl) fenilmetilia] -2' -O- metilia-, 3 '- [2-Cianoethyl n, N-BIS (metilethil) fosforamidita] (ACI) fosforamidita]](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidine, n-acetyl-5 '-o- [bis (4-metoxyphenyl) fenilmetilia] -2' -o- metil-, 3 '- [2-Cianoethyl n, N-BIS (metilethil) fosforamidita] (ACI)
CAS Erregistroaren zenbakia
199593-09-4
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 801,87 | - |
| pka (aurreikusita) | 10.18 ± 0,20 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
N # CCCOP (OC1C (OC (N2C = CC) C1OC) COC (C = 3C = CC) C5 = C4) C5 = C4) c = c5) 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) [= o1) = C (oc) c = c4) c5 = cc = cc = c5
Inchi
Inchi = 1S / C42H52N5O9P / C1-28 (2) 47 (29 (3 )-43-43-43-34-38-36 (55-40 (39 (38) 52-8) 46-25-23-37 (44-30 (5) 48) 45-41 (46) 49) 27-41 -42 (31-13-11-11-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33 / h9-11,13-23,25,28-29,36,26-27h2,1-8h3, H, 44,45,48,49) / t36-, 38-, 39-, 40-, 57? / M1 / s1
Inchi gakoa
Wnwumipfloktez-uaqipllrsa-n
1 Substantzia honetarako beste izen bat
Cytidine,N-Acetyl-5 '-O- [bis (4-metoxyphenyl) fenilmetil] -2 '-O-methyl-, 3 '- [2-Cianoethil bis (metiletilia) fosforamidita] (9ci)
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 4,97 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 50.1 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2190 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 21700 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 35700 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 37800 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 37900 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 37300 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 31400 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 12300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetza Balioaren egoera Iturria |
| Koc 8,29 pH 1; Temp: 25 ° C (1) ACD |
| Koc 87.1 pH 2; Temp: 25 ° C (1) ACD |
| Koc 3800 pH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 PH 4; Temp: 25 ° C (1) ACD |
| Koc 62000 pH 5; Temp: 25 ° C (1) ACD |
| Koc 65700 pH 6; Temp: 25 ° C (1) ACD |
| Koc 65900 pH 7; Temp: 25 ° C (1) ACD |
| Koc 64700 pH 8; Temp: 25 ° C (1) ACD |
| Koc 54500 pH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 PH 10; Temp: 25 ° C (1) ACD |
| 2.43 1.43 pH 1; Temp: 25 ° C (1) ACD |
| 3.45. dokrika 2; Temp: 25 ° C (1) ACD |
| 5.09 doktorea 3; Temp: 25 ° C (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| sintika | 6.09 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 6: 30 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 6,33 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 6,33 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 6,32 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 6,25 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 5,84 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 6.329 ± 0,771 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 1,8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,14 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3.1 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,2 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,9 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,8 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,8 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,8 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 2.2 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,6 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,8 x 10-4 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 2,3 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,8 x 10-3 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,9 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 4.0 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,4 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,3 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,3 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,3 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,8 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7,0 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,3 x 10-7 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Pisu molekularra | 801,87 | ||
| pka | 10.18 ± 0,20 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | 3.57 ± 0,20 | 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 | 18 | (1) ACD | |
| H Onartzaileak | 14 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H emaile / onartzaileen batura | 15 | (1) ACD | |
| logpp | 6.329 ± 0,771 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 801,87 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Egoeraren iturria |
| Azalera polarra | 167 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR
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