C39H46FN4O8P Uridine, 5 '-O- [bis (4-metoxyphenyl) fenilmetilia] -2' -deoxy-2 '- Fluoro-, 3' - [2-Cianoethyl n, N-BIS (metilethil) fosforamidita] (ACI)
CAS Erregistroaren zenbakia
146954-75-8
Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
Pisu molekularra | 748,78 | - |
pka (aurreikusita) | 9,39 ± 0,10 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
N # CCCOP (OC1C (F) C (oc1coc (cc = cc) c = c3) c = c3) c = c3) c = c3) c = cc = c (oc) nc5 = o) n (c (c) c) c (c) c
Irribarre isomerikoak
C (oc [c @@ h] 1 [c @@ c) c) occc # n) [c) c) [c) c) [c) c) [c) c) [c) [c) c) [c) c) [c)> [c) c) [c = h] c = c = c = c (cc = c) c = c4) c5 = cc = cc = c5
Inchi
INCHI = 1S / C39H46FN4O8P / C1-26 (2) 44 (27 (3) 44-41) 52-36-33 (51-37 (35 (36) 40) 43-23-21-34 (45) 42-38 (43) 46) 25-49-39 (28-11) -8-7-9-12-311-31 (47-5) 18-14-29) 30-15-19-32 (48-6) 20-16-30 / h7-9,11-21,23,23,26-27,33,24-25h2,1-6h3, (H, 42,45,46) / T3 3-, 35-, 36-, 37-, 53? / M1 / s1
Inchi gakoa
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1 Substantzia honetarako beste izen bat
Uridine, 5 '-O- [BIS (4-metoxyphenyl) fenilmetilia] -2 '-deoxy-2' -fluoro-, 3 '- [2-Cianoethil bis (metilethil) fosforamidita] (9ci)
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Lipinski
Egitura erlazionatua
Jabetasun | Balio | Baldintza | Iturri |
Bioconcentration faktorea | 457 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 3690 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 27700 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 82900 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1.04 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1.06 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1.06 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 1.02 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 76200 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration faktorea | 22000 | 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 592 pH 1; Temp: 25 ° C (1) ACD |
Koc 4790 pH 2; Temp: 25 ° C (1) ACD |
Koc 36000 pH 3; Temp: 25 ° C (1) ACD |
Koc 1.07 x 105 pH 4; Temp: 25 ° C (1) ACD |
Koc 1.34 x 105 pH 5; Temp: 25 ° C (1) ACD |
Koc 1.38 x 105 pH 6; Temp: 25 ° C (1) ACD |
Koc 1.37 x 105 pH 7; Temp: 25 ° C (1) ACD |
Koc 1.33 x 105 pH 8; Temp: 25 ° C (1) ACD |
Koc 98800 pH 9; Temp: 25 ° C (1) ACD |
KOC 28600 PH 10; Temp: 25 ° C (1) ACD |
4.55. dokria 1; Temp: 25 ° C (1) ACD |
5.46 5.46 pH 2; Temp: 25 ° C (1) ACD |
Logd 6.33 PH 3; Temp: 25 ° C (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
sintika | 6.81 | PH 4; Temp: 25 ° C | (1) ACD |
sintika | 6.91 | PH 5; Temp: 25 ° C | (1) ACD |
sintika | 6,92 | PH 6; Temp: 25 ° C | (1) ACD |
sintika | 6,92 | PH 7; Temp: 25 ° C | (1) ACD |
sintika | 6,90 | PH 8; Temp: 25 ° C | (1) ACD |
sintika | 6,97 | PH 9; Temp: 25 ° C | (1) ACD |
sintika | 6,23 | pH 10; Temp: 25 ° C | (1) ACD |
logpp | 6.918 ± 0,641 | Temp: 25 ° C | (1) ACD |
Intrinsic disolbagarritasuna | 2.2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 5.1 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 6,3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 8,2 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2,8 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2.2 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2.2 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2.2 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2.2 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 3.0 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 1.0 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun masiboa | 2.2 x 10-5 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Molar berezko disolbagarritasuna | 2,9 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 6,8 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 8,4 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1.1 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3,7 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3.0 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 2,9 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 2,9 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 3.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 4.0 x 10-8 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 1,4 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Disolbagarritasun molarra | 2,9 x 10-8 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
Jabetasun | Balio | Baldintza | Iturri |
Pisu molekularra | 748,78 | ||
pka | 9,39 ± 0,10 | 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 | 17 | (1) ACD | |
H Onartzaileak | 12 | (1) ACD | |
H Emaileak | 1 | (1) ACD | |
H emaile / onartzaileen batura | 13 | (1) ACD | |
logpp | 6.918 ± 0,641 | Temp: 25 ° C | (1) ACD |
Pisu molekularra | 748,78 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Jabetasun | Balio | Egoeraren iturria |
Azalera polarra | 145 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)