![C33h35n3o8 cytidine, n-acetyl-5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o- methyl- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C33h35n3o8 cytidine, n-acetyl-5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o- methyl- (9ci, aci)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 601.65 | - |
| Tichtheid (foarsizze) | 1.28 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 10,19 ± 0,20 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c (c = cn1c2oc (cc = cc = cc = c (c4) c = c (cv = c = c (c5) c = c, c (o) c2oc) nc (= o) c
Isomeryske glimket c (oc [c @ h] 1O [c @ h] (oc) [c @@) 1O) n = c2) (c3 = c (c4) c = c = c = c = cv = cc = cv = c5
Inchi
Inchi = 1s / c33h35n3o8 / c1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-31) 20 (38) 27 (44-3-3-3-43-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-3-33-7-23,23-9-22,23-10-14-25) 15-11-23) 24-12-16-26 (41-3) 17-13-24 / H5-19,27,29-31,38h, 20h2,38h3, (h, 34,35,39) / t27-, 29-, 30- / m1 / s1
Inchi-kaai
Finuhojildnelq-pmfucwtesa-n
1 oare namme foar dizze substansje
N-acetyl-5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o-methylcytidine (aci)
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 8.87 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 27.8 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 171 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 515 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 650 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 668 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 668 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 657 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 560 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 229 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 48.6 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 152 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 935 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 2820 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 3560 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 3660 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 3660 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 3600 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3070 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1250 | pH 10; Temp: 25 ° C | (1) ACD |
| Logd | 2.14 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 2.64 | pH 2; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Logd | 3.43 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 3,91 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 4.01 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 4.02 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 4.02 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 4.01 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 3.94 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 3.55 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 1.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0,10 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 0.032 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,2 x 10-3 g / L | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-3 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-3 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.6 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3,9 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 1.3 x 10-3 g / l | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 2.2 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1,7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 5.3 x 10-5 mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 8,6 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2,9 x 10-6 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.3 x 10-6 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.2 x 10-6 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.2 x 10-6 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.2 x 10-6 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 2.6 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.4 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 2.2 x 10-6 mol / l | Unbuffered water phel 6; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 601.65 | ||
| pka | 10,19 ± 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)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1.28 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 466.5 ± 7,0 cm3 / mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 11 | (1) ACD | |
| H akseptearders | 11 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / akseptearje SUM | 13 | (1) ACD | |
| Logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 601.65 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 128 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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