![C42H52N5o9p Cytidine, N-Acetyl-5 ''-METHOXYPHENYL) fenylmethyl] -2 '2 '' --Cyanoethyl n, n-bis (1-methylethyl) fosphoramidite] (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42h52n5o9p cytidine, n-acetyl-5 '- [bis (4-methoxyphenyl) fosphoramidyt] (aci) featured image](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5o9p Cytidine, N-Acetyl-5 ''-METHOXYPHENYL) fenylmethyl] -2 '2 '' --Cyanoethyl n, n-bis (1-methylethyl) fosphoramidite] (aci)
CAS Registry Number
199593-09-4
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 801.87 | - |
| PKA (foarsizze) | 10,18 ± 0,20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes
N # CCCOP (OC1C (OC (N2C = cc (= nc2 = o) nc (= o) c) c = cc = c (c4) c = c (cc = c (c5) n (c (c (c) c) c (c (c (c) c) c
Isomeryske glimkes
C (oc [c @@ h] 1 [c @@ h] c) c (c (c (c) c) occc # n) [c @@) (= c2) (c3 = cc = c (oc = c (oc) c = c = c = c = c = c (c4 = cc = C (oc) c = c4) c5 = cc = cc = c5
Inchi
Inchi = 1s / c42h52n5o9o9p / c1-28 (2) 47 (29 (29 (29) 4) 56 (54-26) 56-8) 46-8) 46-8) 46) 45-41 (46) 49) 279) 27-53 -42 (31-13-10-9-14-14-31.32-15-19-34 (50-6) 20-16-32) 33-17-23) 22-18-31 (51-7) 22-18-3-11.13-23,25,28-29,36,156,38-40h, 12,26-27H2,1-8h3, ( H, 44,45.48,49) / t36-, 38-, 39-, 40-, 57? / M1 / s1
Inchi-kaai
Wnwumipfloktez-uaqipllrsa-n
1 oare namme foar dizze substansje
Cytidine,N-Cetyl-5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O-MethyThyl-, 3 '- [2-Cyanoethyl bis (1-methylethyl) fosphoramidite] (9ci)
Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 4.77 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 50.1 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2190 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 21700 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 35700 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 37800 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 37900 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 37300 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 31400 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 12300 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Eigendomwearde Boarne |
| 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 |
| Logd 2.43 PH 1; Temp: 25 ° C (1) ACD |
| Logd 3.45 PH 2; Temp: 25 ° C (1) ACD |
| Logd 5.09 PH 3; Temp: 25 ° C (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Logd | 6.09 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 6.30 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 6.33 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 6.33 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 6.32 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 6.25 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 5,84 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 6.329 ± 0.771 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1,8 x 10-4 G / L | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.14 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.1 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.2 x 10-4 G / L | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.9 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,8 x 10-4 G / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,8 x 10-4 G / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,8 x 10-4 G / L | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 2.2 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,6 x 10-4 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,8 x 10-4 G / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 2.3 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,8 x 10-3 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,7 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 3,9 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 4.0 x 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,4 x 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.3 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.3 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.3 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,8 x 10-7 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.0 x 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.3 x 10-7 mol / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molekulêr gewicht | 801.87 | ||
| pka | 10,18 ± 0,20 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | 3.57 ± 0.20 | 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 | 18 | (1) ACD | |
| H akseptearders | 14 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 15 | (1) ACD | |
| Logp | 6.329 ± 0.771 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 801.87 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Besit | Wearde | Betingst boarne |
| Polar oerflak | 167 a2 | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
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