![C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox yethyl) -5-methyl- (9ci, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 617.69 | - |
| Titik mendidih (diramalkan) | 762.6 ± 70.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 13.31 ± 0.70 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C (N) C (= CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OCCOC) C.
Isomerik Smiles C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2)
Inchi
Inchi = 1S/c34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35-30 (43-19-18-40-29 (38) 28 (45-32) 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38h, 18-19,21h2,1-4h3, (H2,35,36,39)/T28-
Kunci Inchi
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 nama lain untuk bahan ini
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Page: 17 Dikatakan RNA; 12: PN: US20030211606 Page: 18 Diklaim R NA; 12: PN: US20030212017 Page: 19 mendakwa R na; 14: PN: US200400055569 PAG E: 21 Diklaim R NA; 15: PN: US20040005565 Page: 17-22 RNA yang dituntut; 15: PN: US200400055570 Page: 19 Diklaimed R NA; 15: PN: U S20040006030 Page: 22 Dikatakan R NA; 15: PN: US20040014048 Page: 19 mendakwa R na; 16: PN: US20030171313 Page: 9 mendakwa RNA; 16: PN: US20030198965 Page: 19 mendakwa R na; 16: PN: US20040014047 Page: 19 mendakwa R na; 16: PN: US20040014049 Page:
19 mendakwa RNA; 17: PN: US20040014051 Page: 21 mendakwa R na; 17: PN: US20040014699 Page: 19 mendakwa R na; 17: PN: w
O03106645 Page: 69 mendakwa R na; 18: PN: US20040006029 Page: 22 mendakwa R na; 2'-O-Methoxyethyl-5'-O-Dimethoxytrityl-5- Methylcytidine; 58: PN: US20030166592 Page: 15 Dituntut R NA; 5: PN: WO2005006958 Page: 61 mendakwa R na; 7: PN: WO20050 07825 Page: 61 mendakwa R na; 82: PN: US20040171566 Page: 18 Diklaim R NA; 89: PN: US20040005707 Page: 19 mendakwa R na; 9: PN: WO030844478 Page: 56 Diklaim R NA
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
| Haba |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.56 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.99 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 6.19 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 38.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 116 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 146 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 150 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 151 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 151 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 151 | 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 | 13.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 16.6 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 51.8 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 318 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 966 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 1220 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| KOC | 1260 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 1.18 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 1.29 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 1.78 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 2.57 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 3.05 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 3.16 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 5.2 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.51 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.40 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.13 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 0.020 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 6.8 x 10-3 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.4 x 10-3 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.3 x 10-3 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.2 x 10-3 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.2 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.3 x 10-3 g/l | Air yang tidak disengajakan pH 7.05; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 8.4 x 10-6 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.2 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.4 x 10-4 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.1 x 10-4 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.3 x 10-5 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-5 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 8.7 x 10-6 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.5 x 10-6 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.4 x 10-6 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.4 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.4 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.5 x 10-6 mol/l | Air yang tidak disengajakan pH 7.05; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 617.69 | ||
| PKA | 13.31 ± 0.70 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 4.58 ± 0.10 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 1.89 x 10-24 Torr | Temp: 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 | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 483.8 ± 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 | 14 | (1) ACD | |
| H penerima | 11 | (1) ACD | |
| H penderma | 3 | (1) ACD | |
| H penderma/penerima jumlah | 14 | (1) ACD | |
| logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 617.69 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 134 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 762.6 ± 70.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 116.53 ± 3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 415.0 ± 35.7 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
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