![C50H58N7o9p adenosine, N-benzoyl-5 ''-METHOXYPHENY) fenylmethyl] -2 '- o- (2-metylethyl n, n-bis (1-metylethyl) fosphoramidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50h58n7o9p adenosine, n-benzoyl-5 '--o- [methaksel] -2' - o- (2-methoxyeth) fosphoramidite] (aci) featured image](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7o9p adenosine, N-benzoyl-5 ''-METHOXYPHENY) fenylmethyl] -2 '- o- (2-metylethyl n, n-bis (1-metylethyl) fosphoramidite] (aci)
CAS Registry Number
251647-53-7
H302
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 932.01 | - |
| PKA (foarsizze) | 7,87 ± 0.43 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (OC (N2C = NC = 3C (= nc = c = cc = c = c = c = c = c = c = c = c (c7) 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 = 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 (c7) n (c (c) c) c = cc
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] c) c (c (c (c) c) occ) [c @@) (o1) n2c = 3c (= cc = c4) n = cn3) (c5 = Cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Inchi
Inchi = 1s / c50h58n7o9p / c1-34 (2) 57 (35 (3) 4) 67 (34-28-14-27 (31-6-12-9-13-18-39.38-19-23-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-5-5) 56-33-54-43 (52-32-53-47 (43) 56) 55-48 (58) 36-36 / H8-13,15-26, 32-35.42,44-45,49h, 14.28-31H2,1-7h3, (h, 52,53,55,58) / t42-, 44-, 45-, 45-, 67? / M1 / s1
Inchi-kaai
Vpbybqbhlyrlhg-hdmawcrfsa-n
16 oare nammen foar dizze substansje
Adenosine,N-benzoyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O- (2-Methoxyethyl) -, 3 '- [2-Cyanoethyl bis (1-methylethyl)
fosphoramidite] (9ci); 16: PN: US20030211606 Side: 19 bewearden sekwinsje; 16: PN: US20030212017 Side: 20 opeaske sekwinsje; 17: PN: US20040005569 pagina: 22 bewearden sekwinsje; 19: PN: US20040006030 Page: 23 opeaske sekwinsje; 19: PN: US20040014047
Side: 21 opeaske sekwinsje; 19: PN: US20040014049 Side: 21 opeaske sekwinsje; 20: PN: US20040005570 Side: 20 opeaske
folchoarder; 20: PN: US20040014048 Side: 21 opeaske sekwinsje; 20: PN: US20040014050 Side: 20 bewearden sekwinsje; 21: PN: U
S20040005565 Side: 17- 22 opeaske sekwinsje; 21: PN: US20040014051 Side: 23 bewearden sekwinsje; 22: PN: US20040014699 Side: 20 opeaske sekwinsje; 23: PN: US20040006029 pagina: 23 bewearden sekwinsje; 23: PN: Wo03106645 Page: 73 easke sekwinsje; 94: P N: US20040005707 Side: 20 easke sekwinsje
Spectra te krijen
1 h nmr
13 C NMR
Hetero nmr
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 2680 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 71500 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 7.21 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 8,48 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.39 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 40300 | 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 | 1360 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 36300 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 1.42 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1,17 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 70800 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 20500 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | 5,77 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 7.20 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 8.20 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 8.69 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 8.79 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 8.79 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 8.71 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 8.27 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 7.49 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 6.95 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 5.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,051 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,9 x 10-3 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.9 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 6.0 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,8 x 10-5 G / L | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,8 x 10-5 G / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-5 G / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.6 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 9.3 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,7 x 10-5 g / l | Unbuffered water Ph 6.97; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 5,8 x 10-8 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5,5 x 10-5 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.0 x 10-6 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 2.0 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.4 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5.1 x 10-8 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5.1 x 10-8 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.2 X 10-8 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,7 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.0 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,9 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.1 X 10-8 Mol / L | Unbuffered water Ph 6.97; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 932.01 | ||
| pka | 7,87 ± 0.43 | 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 | 16 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 17 | (1) ACD | |
| Logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 932.01 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 187 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 |
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