C43H55N4O10P uridine, 5 '- [MethOxyPhenyl) fenylmethyl] -2' "-MethOl-Tyl) - 5-METHYTHYL N, N-BIS (1-METHYLETHYL) foshor amidite] (aci)
CAS Registry Number
163878-63-5
H302
Kaai fysike eigenskippen | Wearde | Betingst |
Molekulêr gewicht | 818.89 | - |
PKA (foarsizze) | 9.55 ± 0.10 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # cccop (oc1c (oc (n2c = c (c (= o) nc2 = c) c) c) c = cc = c = c (cv = c = c (c5) n (c (c (c) c) c (c (c (c (c) c) c (c (c) c)
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] (op (c (c (c (c (c) c) occ) [c @) c (= c) c (c3 = c (cc = c (oc) c = c = c (c4 = cc = C (oc) c = c4) c5 = cc = cc = c5
Inchi
Inchi = 1s / c43h55n4o10p / c1-29 (2) 47 (30 (3) 4) 58 (55-23/31) 57-38-37 (56-23-35-50 (5) 40 (48) 45-42 (46) 49) 2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8h3, (H, 45.48,49) / T37-, 38-, 39-, 41-, 58? / M1 / S1
Inchi-kaai
Yfrrkzdudxhjnc-kzqaaKllsa-n
17 oare nammen foar dizze substansje
Uridine, 5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O- (2-Methoxyethyl) - 5-methyl-, 3 '- [2-Cyanethyl bis (1-methylethyl) fosfor
amidite] (9ci); 10: PN: US20030212017 Side: 18 opeaske RNA; 11: PN: US20030211606 Side: 18 opeaske RNA; 13: PN: US20040
005569 pagina: 21 opeaske RNA; 13: Pn: US20040006030 Side: 22 opeaske RNA; 13: pn: US20040014048 Side: 19 opeaske rna; 13: pn: US20040014049 Side: 19 opeaske RNA; 14: PN: US20030198965 Side: 19 opeaske RNA; 14: PN: US20040005565-pagina: 17- 22 opeaske rna; 14: PN: US20040005570 Side: 19 opeaske RNA; 14: PN: US20040014047 Side: 19 opeaske RNA; 14: PN: US20040
014699 Side: 19 opeaske RNA; 15: PN: US20040014050 Side: 19 opeaske RNA; 15: PN: US20040014051 Side: 21 opeaske RNA; 15:
PN: Wo03106645 Page: 69 opeaske RNA; 16: PN: US20040006029 pagina: 22 opeaske RNA; 87: PN: US20040005707 Side: 19 opeaske RNA
Spectra te krijen
1 h nmr
13 C NMR
Hetero nmr
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
Besit | Wearde | Betingst | Boarne |
Bioconcentration Factor | 348 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 2810 | pH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 21100 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 63100 | pH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 78800 | pH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 80800 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 80800 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 78800 | pH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 63400 | pH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 21800 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst | Boarne |
Koc | 487 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 3940 | pH 2; Temp: 25 ° C | (1) ACD |
Koc | 29600 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 88400 | pH 4; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Koc | 1.10 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Koc | 88800 | pH 9; Temp: 25 ° C | (1) ACD |
Koc | 30600 | pH 10; Temp: 25 ° C | (1) ACD |
Logd | 4.39 | pH 1; Temp: 25 ° C | (1) ACD |
Logd | 5.30 oere | pH 2; Temp: 25 ° C | (1) ACD |
Logd | 6.18 | pH 3; Temp: 25 ° C | (1) ACD |
Logd | 6.65 | pH 4; Temp: 25 ° C | (1) ACD |
Logd | 6,75 | pH 5; Temp: 25 ° C | (1) ACD |
Logd | 6.76 | pH 6; Temp: 25 ° C | (1) ACD |
Logd | 6.76 | pH 7; Temp: 25 ° C | (1) ACD |
Logd | 6,75 | pH 8; Temp: 25 ° C | (1) ACD |
Logd | 6.65 | pH 9; Temp: 25 ° C | (1) ACD |
Logd | 6.19 | pH 10; Temp: 25 ° C | (1) ACD |
Logp | 6.761 ± 0.669 | Temp: 25 ° C | (1) ACD |
Massa intrinsike oplosmiddel | 2.0 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0.046 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,7 x 10-3 G / L | pH 2; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 7,6 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2,5 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2.0 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2.0 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2.0 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2.0 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2,5 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 7,4 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 2.0 x 10-4 g / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
Molêre yntrinsike oplosmiddel | 2,4 x 10-7 Mol / L | Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 5,6 x 10-5 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 7.0 x 10-6 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Milarlabiliteit | 9.3 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3.1 x 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2,5 x 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2,4 x 10-7 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2,4 x 10-7 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2,5 x 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3.1 x 10-7 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 9.0 x 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 2,4 x 10-7 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 818.89 | ||
pka | 9.55 ± 0.10 | Meast Acidic Temp: 25 ° C | (1) ACD |
pka | 3.45 ± 0,70 | Meast basic temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst | Boarne |
Frij rotatbere bonnen | 21 | (1) ACD | |
H akseptearders | 14 | (1) ACD | |
H Donors | 1 | (1) ACD | |
H Donor / akseptearje SUM | 15 | (1) ACD | |
Logp | 6.761 ± 0.669 | Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 818.89 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst boarne |
Polar oerflak | 164 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1 h nmr
13 C NMR
Koade gefaarferklearring boarne | |
H302 skealik as it swalke | European Chemical Agency (Echa) Klassifikaasje en etikettering Ynventarisaasje - notified Classification and label - Meast Common notifikaasjes, European Chemical Agency (Echa) Klassifikaasje- en etikettering ynventarisaasje - notified klassifikaasje en etikettering - meast serieuze notifikaasjes |