![C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- (9CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- (9CI, ACI)
| Sifat Fisik Utama | Nilai | Kondisi |
| Berat Molekul | 601.65 | - |
| Kepadatan (Diprediksi) | 1,28±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr |
| pKa (Diprediksi) | 10,19±0,20 | Suhu Paling Asam: 25 °C |
SENYUM Kanonis 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
SENYUM Isomer 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(OC)C=C4)C5=CC=CC=C5
Di ChI
InciChi=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(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17-13-24/jam5-19,27,29-31,38Jam,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-Asetil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metilsitidin (ACI)
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait Struktur |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor Biokonsentrasi | 8.87 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 27.8 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 171 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 515 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 650 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 668 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 668 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 657 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 560 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 229 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | 48.6 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 152 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 935 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 2820 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 3560 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 3660 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 3660 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 3600 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3070 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1250 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| logD | 3.43 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 3.91 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 3.94 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 4,021±0,768 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 1,3 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,10 gram/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 0,032 gram/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 5,2 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,7x10-3g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,4 x 10-3 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-3 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-3 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-3 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,6x10-3g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 3,9 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan Massa | 1,3 x 10-3 g/L | Air Tanpa Buffer pH 6,99; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 2,2 x 10-6 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 1,7 x 10-4 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 5,3 x 10-5 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 8,6 x 10-6 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,9 x 10-6 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,3 x 10-6 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,2 x 10-6 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,2 x 10-6 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,2 x 10-6 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 2,6 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan Molar | 6,4 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan Molar | 2,2 x 10-6 mol/L | Air Tanpa Buffer pH 6,99; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 601.65 | ||
| pKa | 10,19±0,20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,28±0,1 gram/cm3 | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
| Volume Molar | 466,5±7,0 cm3/mol | Suhu: 20 °C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Obligasi yang Dapat Diputar Secara Bebas | 11 | (1) ACD | |
| H Akseptor | 11 | (1) ACD | |
| H Donor | 2 | (1) ACD | |
| H Jumlah Donor/Akseptor | 13 | (1) ACD | |
| logP | 4,021±0,768 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 601.65 |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Terkait Struktur
| Milik | Nilai | Kondisi | Sumber |
| Luas Permukaan Kutub | 128A2 | (1) ACD | |
(1) Dihitung menggunakan Perangkat Lunak Pengembangan Kimia Tingkat Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 jam NMR
13C NMR
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