![C33H35N3O8 sitidin, N-acetyl-5′-o- [BIS (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-o- [BIS (4-methoxyphenyl) fenilmetil] -2′-o-metil- (9ci, ACI) Gambar)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 sitidin, N-acetyl-5′-o- [BIS (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- (9ci, ACI)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 601.65 | - |
| Kepadatan (diprediksi) | 1,28 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 10,19 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik O = C1N = C (C = CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC) NC (= O) C.
Isomer Smiles C (OC [C@H] 1O [c@h] ([c@h] (oc) [c @@ h] 1o) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = C3) (c4 = cc = c
Inci
Inchi = 1S/C33H35N3O8/C1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 20-43-33 (22-8-8-5-7-9-9.22.22.22.22.22.22.22.22.22.22.22.22.22.22.22.22.22) (22-8-8-5-7-9-9.93-9.93-9.93 (22-8-9-9-9-9.9-9.9.9 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38H, 20H2,1-4H3, (H, 34,35,37,39)/T27-, 29-, 30-, 31-/M1/S1
Kunci Inchi
Finuhojildnelq-pmfucwtesa-n
1 nama lain untuk zat ini
N-acetyl-5′-o- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methylcytidine (ACI)
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 8.87 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 27.8 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 171 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 515 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 650 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 668 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 668 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 657 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 560 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 229 | 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 | 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 |
| Milik | Nilai | Kondisi | Sumber |
| 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 |
| Kelarutan intrinsik massa | 1,3 x 10-3 g/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,10 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 0,032 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.2 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,7 x 10-3 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.4 x 10-3 g/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,3 x 10-3 g/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,3 x 10-3 g/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,3 x 10-3 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,6 x 10-3 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,9 x 10-3 g/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,3 x 10-3 g/L | PH AIR TERBACA 6.99; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2.2 x 10-6 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,7 x 10-4 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.3 x 10-5 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.6 x 10-6 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-6 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.3 x 10-6 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.2 x 10-6 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2.6 x 10-6 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6.4 x 10-6 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 2.2 x 10-6 mol/L | PH AIR TERBACA 6.99; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.65 | ||
| PKA | 10,19 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,57 ± 0,20 | Paling Basa 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 | 1,28 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 466,5 ± 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 | 11 | (1) ACD | |
| H akseptor | 11 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H donor/jumlah akseptor | 13 | (1) ACD | |
| logp | 4.021 ± 0,768 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 601.65 |
(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 | 128 A2 | (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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