![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) Fitur gambar](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 fisik utama | Nilai | Kondisi |
| Berat molekul | 617.69 | - |
| Titik didih (diprediksi) | 762.6 ± 70.0 ° C. | Tekan: 760 Torr |
| Kepadatan (diprediksi) | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 13.31 ± 0,70 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik 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.
Senyum isomerik C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [c @@ h] 1o) N2C (= O) n = C (n) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = CC = C3 = C5 = C3) (C4 = CC = C (OC) C = CC = C3 = C5 = C3) (C4 = CC = C (OC) C = C4) C3 = C3 = C3) (C4 = CC = C
Inci
Inchi = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-6-6-7-7-7-9.9) (45-44-34 (23-6-6-7-7-7-9.9) (23-6-7-7-7) 21-44 (23-6-7-7-9 (45-32) (23-6-7-7-7 (45-32) (45-34 (45-32) (45-32 (45-32) (45-32 (45-32) (45-32) (45-3 (45-3 (45-3 (45-3 (45-32) (45-3 (45-3 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-, 29-, 30-, 32-/M1.39)/T28-, 29-, 30-, 32-/M1
Kunci Inchi
Lyktvjjxzqtnpk-pbamlimusa-n
24 Nama Lain untuk Substansi Ini
5′-o- [bis (4-methoxyphenyl) phenylmethyl] -2′-o- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Halaman: 17 diklaim RNA; 12: PN: US20030211606 Halaman: 18 diklaim R NA; 12: PN: US20030212017 Halaman: 19 Diklaim R NA; 14: PN: US20040005569 PAG E: 21 mengklaim r na; 15: PN: US20040005565 Halaman: 17-22 Klaim RNA; 15: PN: US20040005570 Halaman: 19 Diklaim R NA; 15: PN: U S20040006030 Halaman: 22 Diklaim R NA; 15: PN: US20040014048 Halaman: 19 Diklaim R NA; 16: PN: US20030171313 Halaman: 9 diklaim RNA; 16: PN: US20030198965 Halaman: 19 Diklaim R NA; 16: PN: US20040014047 Halaman: 19 Diklaim R NA; 16: PN: US20040014049 Halaman:
19 mengklaim RNA; 17: PN: US20040014051 Halaman: 21 Diklaim R NA; 17: PN: US20040014699 Halaman: 19 Diklaim R NA; 17: PN: w
O03106645 Halaman: 69 Diklaim R NA; 18: PN: US20040006029 Halaman: 22 Diklaim R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Halaman: 15 Diklaim R NA; 5: PN: WO2005006958 Halaman: 61 diklaim r na; 7: PN: WO20050 07825 Halaman: 61 Diklaim R NA; 82: PN: US20040171566 Halaman: 18 diklaim R NA; 89: PN: US20040005707 Halaman: 19 Diklaim R NA; 9: PN: WO03084478 Halaman: 56 Diklaim R NA
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
| Panas |
Biologis
| Milik | Nilai | Kondisi | 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) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | 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 |
| Milik | Nilai | Kondisi | 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 massal | 0,51 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,40 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,13 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,020 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 6.8 x 10-3 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.4 x 10-3 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.3 x 10-3 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.2 x 10-3 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.2 x 10-3 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.3 x 10-3 g/l | Air PH 7.05 yang tidak terikat; 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 |
| Milik | Nilai | Kondisi | 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 PH 7.05 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 617.69 | ||
| PKA | 13.31 ± 0,70 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 4,58 ± 0,10 | Paling Basa Temp: 25 ° C | (1) ACD |
| Tekanan uap | 1,89 x 10-24 torr | Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,27 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 483,8 ± 7,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 14 | (1) ACD | |
| H akseptor | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H donor/jumlah akseptor | 14 | (1) ACD | |
| logp | 3.169 ± 0,598 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 617.69 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 134 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 762.6 ± 70.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi penguapan | 116.53 ± 3,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 415.0 ± 35.7 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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