![C41H43N3O9 Cytidine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-metil- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-metil- (9ci, aci) h335, h319, h315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-metil- (9CI, ACI) H335, H319, H315
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 721.80 | - |
| Titik lebur (eksperimen) | 107-110 ° C. | - |
| Ketumpatan (diramalkan) | 1.26 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 8.60 ± 0.40 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C (NC (= O) C = 2C = CC = CC2) C (= CN1C3OC (COC (C = 4C = CC = CC4)
Tersenyum isomerik
C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (= O) C3 = CC = CC = CC = C3)
Inchi
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13
-9-9-6-14-29,30-15-19-32 (49-3) 20-16-30) 31-17-21-33 (50-4) 22-18-31/H5-225,34-36,39,45h, 23-24,20,4h3, 5-, 36-, 39-/m1/s1
Kunci Inchi
Byscluaikfefah-lzurgkrnsa-n
23 nama lain untuk bahan ini
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 Page: 57 Diklaimed RNA; 12: PN: US20030170636 Page: 17 Dikatakan R NA; 13: PN: US20030212017 Page: 19 mendakwa R na; 14: PN: US20030
211606 Page: 19 mendakwa R na; 15: PN: US20040005569 Page: 22 Diklaimed R NA; 16: PN: US20040006030 Page: 22 mendakwa R na; 16: PN: US20040014048 Page: 20 mendakwa R na; 17: PN: US20030171313 Page: 9 mendakwa R na; 17: PN: US20040005565 Page: 17-22 RNA yang dituntut; 17: PN: US200400055570 Page: 20 mendakwa R na; 17: PN: US20040014047 Page: 20 mendakwa R na; 17: PN: US20040 014050 Page: 20 mendakwa R na; 18: PN: US20030198965 Page: 19 mendakwa R na; 18: PN: US20040014699 Page: 20 mendakwa r na; 19: PN: US20040006029 Page: 23 mendakwa R na; 19: PN: WO03106645 Page: 71 mendakwa R na; 59: PN: US20030166592 Page: 15 Dikatakan RNA; 6: PN: WO2005006958 Page: 62 mendakwa R na; 83: PN: US20040171566 Page: 18 Diklaim R NA; 8: PN: WO2005007825
Page: 62 mendakwa r na; 90: PN: US20040005707 Page: 20 mendakwa R na; N4-Benzoyl-2'-O-Methoxyethyl-5'-O-Dimethoxytrityl-5-
Methylcytidine
| Hartanah tersedia |
| Haba |
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik lebur | 107-110 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nukleosida, nukleotida & asid nukleik, (2018), 37 (4), 232-247, Caplus
Spektrum tersedia
1H NMR
13C NMR
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 291 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 644 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3690 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 15600 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 23700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 24800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 23300 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 14100 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 3010 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 558 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | Sumber |
| KOC | 569 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 7210 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 30400 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 46300 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 48500 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 45500 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 27500 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 5890 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1090 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.16 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.50 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 5.26 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 5.88 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.07 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.09 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.06 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 5.17 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.44 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 1.3 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.011 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.0 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 8.7 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.1 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan Massa | 1.4 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.3 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 2.3 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.1 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 1.4 x 10-4 g/l | Air yang tidak disengajakan pH 6.97; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.8 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.9 x 10-6 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.2 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.9 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.9 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.8 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.9 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.2 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.5 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.0 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.9 x 10-7 mol/l | Air yang tidak disengajakan pH 6.97; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 721.80 | ||
| PKA | 8.60 ± 0.40 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.87 ± 0.20 | Tempatan paling asas: 25 ° C | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.26 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 572.5 ± 7.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 15 | (1) ACD | |
| Harta | Nilai | Keadaan | Sumber |
| H penerima | 12 | (1) ACD | |
| H penderma | 2 | (1) ACD | |
| H penderma/penerima jumlah | 14 | (1) ACD | |
| logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 721.80 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 137 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
| Kod | Penyata bahaya | Sumber |
| H335 | Boleh menyebabkan kerengsaan pernafasan | Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabel |
| H319 | Menyebabkan kerengsaan mata yang serius | Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabel |
| H315 | Menyebabkan kerengsaan kulit | Agensi Kimia Eropah (ECHA) Klasifikasi & Pelabelan Inventori - Klasifikasi dan Pelabel |
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