C47H60N7O10P Guanosine, 5 '- [MethOxyPhenyl) Phenylmenhyl] -2 '2' - (2- Methoxyethyl n, n-bis (1-methylethyl) fosphoramidite] (aci)
CAS Registry Number
251647-55-9
H302
Kaai fysike eigenskippen | Wearde | Betingst |
Molekulêr gewicht | 914,00 | - |
PKA (foarsizze) | 9,16 ± 0.20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (OC (N2C = NC = 3C (= o) n = c (c) c (c = cc = c = c = c = c (cv = c = c = c (c6) n (c6) n (c (c) c) c (c (c) c)
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c (c) occ) [c @@) (ococ) 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 (c (c (c (c (c))) (c4 = cc = c (OC) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = cv = c6
Inchi
Inchi = 1s / c47H60n7o10p / c1-30 (2) 43 (55) 51-46-39 (44 (56) 52-4-6- (62) 45-61 (60-26-6-57 (60-25-26- (62-25-13-24-44) 54 ( 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61) 28-61-12-15-33,34-16-20-36 (58-8) 21-17-34) 35-17-34) 35-35 / H10-12.14-23,29-32,38 , 40-41,45h, 13,25-28H2,1-9H3, (H2,50,51,52,55,56) / t38-, 40-, 41-, 45-, 65? / M1 / s1
Inchi-kaai
Ladcdgnebiqaau-sbcraqivsa-n
17 oare nammen foar dizze substansje
Guanosine, 5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O- (2-methoxyethyl) -N- (2-Methyl-1-OXOPROPYL) -, 3 '- [2-Cyanoethyl bis (1- methyletyl) fosphoramidite] (9ci); 17: PN: US20030212017 Side: 20 opeaske sekwinsje; 18: PN: US20030211606 Side: 20
opeaske sekwinsje; 19: PN: US20040005569 pagina: 22 bewearden sekwinsje; 21: PN: US20040006030 Side: 23 opeaske sekwinsje; 21: PN: US20040014047 Side: 21 opeaske sekwinsje; 21: PN: US20040014049 Side: 21 opeaske sekwinsje; 22: PN: US20030198965 pag
E: 20 opeaske sekwinsje; 22: Pn: US20040005570 Side: 21 opeaske sekwinsje; 22: PN: US20040014048 Side: 21 opeaske sekwinsje;
22: PN: US20040014050 pagina: 21 opeaske sekwinsje; 23: PN: US20040005565 Side: 17- 22 opeaske sekwinsje; 23: US20040
014051 Side: 23 bewearden sekwinsje; 24: pn: US20040014699 Side: 21 opeaske sekwinsje; 25: PN: US20040006029 pagina: 23 opeaske sekwinsje; 25: PN: Wo03106645 Page: 73 easke sekwinsje; 96: PN: US20040005707 Side: 21 Claimed Sequence
Spectra te krijen
13 C NMR
Hetero nmr
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
Besit | Wearde | Betingst | Boarne |
Bioconcentration Factor | 121 | pH 1; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 2580 | pH 2; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 23500 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 71800 | pH 4; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 89800 | pH 5; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 92100 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 91300 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 82500 | pH 8; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 42200 | pH 9; Temp: 25 ° C | (1) ACD |
Bioconcentration Factor | 7860 | 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 | 164 | pH 1; Temp: 25 ° C | (1) ACD |
Koc | 3480 | pH 2; Temp: 25 ° C | (1) ACD |
Koc | 31700 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 96900 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 1,21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Koc | 1,24 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1,23 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Koc | 56900 | pH 9; Temp: 25 ° C | (1) ACD |
Koc | 10600 | pH 10; Temp: 25 ° C | (1) ACD |
Logd | 3,95 | pH 1; Temp: 25 ° C | (1) ACD |
Logd | 5.28 | pH 2; Temp: 25 ° C | (1) ACD |
Logd | 6.24 | pH 3; Temp: 25 ° C | (1) ACD |
Logd | 6.73 | pH 4; Temp: 25 ° C | (1) ACD |
Logd | 6.82 | pH 5; Temp: 25 ° C | (1) ACD |
Logd | 6.83 | pH 6; Temp: 25 ° C | (1) ACD |
Logd | 6.83 | pH 7; Temp: 25 ° C | (1) ACD |
Logd | 6.79 | pH 8; Temp: 25 ° C | (1) ACD |
Logd | 6,50 | pH 9; Temp: 25 ° C | (1) ACD |
Logd | 5,77 | pH 10; Temp: 25 ° C | (1) ACD |
Logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
Massa intrinsike oplosmiddel | 4,4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0.34 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 0.016 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 1,7 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,7 x 10-4 G / L | pH 4; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.6 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4,4 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.5 x 10-4 G / L | pH 7; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.9 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 1.0 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 5,2 x 10-3 g / L | pH 10; Temp: 25 ° C | (1) ACD |
Massa-oplosberens | 4.5 x 10-4 G / L | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
Molêre yntrinsike oplosmiddel | 4,8 x 10-7 Mol / L | Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 3,7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 1,7 x 10-5 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 1.9 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Besit | Wearde | Betingst | Boarne |
Milarlabiliteit | 6.2 X 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 5,0 x 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 4,8 x 10-7 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 4.9 x 10-7 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 5,4 x 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 5,7 x 10-6 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
Milarlabiliteit | 4.9 x 10-7 Mol / L | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 914,00 | ||
pka | 9,16 ± 0.20 | 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 | 22 | (1) ACD | |
H akseptearders | 17 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / akseptearje SUM | 19 | (1) ACD | |
Logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
Molekulêr gewicht | 914,00 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Besit | Wearde | Betingst boarne |
Polar oerflak | 203 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 |