![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (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-methyl- (9CI, ACI) H335, H319, H315 Imej Pilihan](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 721.80 | - |
| Takat Lebur (Eksperimen) | 107-110 °C | - |
| Ketumpatan (Diramalkan) | 1.26±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 8.60±0.40 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
SENYUMAN Isomerik
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=C=C=C5)(C5=C=C=OC)CC
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)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18- 31/j5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 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 MUKA SURAT: 57 mendakwa RNA; 12: PN: US20030170636 MUKA SURAT: 17 mendakwa R NA; 13: PN: US20030212017 MUKA SURAT: 19 mendakwa R NA; 14: PN: US20030
211606 MUKA SURAT: 19 mendakwa R NA; 15: PN: US20040005569 MUKA SURAT: 22 mendakwa R NA; 16: PN: US20040006030 MUKA SURAT: 22 mendakwa R NA; 16: PN: US20040014048 MUKA SURAT: 20 dituntut R NA; 17: PN: US20030171313 MUKA SURAT: 9 mendakwa R NA; 17: PN: US20040005565 MUKA SURAT: 17- 22 RNA yang dituntut; 17: PN: US20040005570 MUKA SURAT: 20 dituntut R NA; 17: PN: US20040014047 MUKA SURAT: 20 dituntut R NA; 17: PN: US20040 014050 MUKA SURAT: 20 dituntut R NA; 18: PN: US20030198965 MUKA SURAT: 19 mendakwa R NA; 18: PN: US20040014699 MUKA SURAT: 20 dituntut R NA; 19: PN: US20040006029 MUKA SURAT: 23 mendakwa R NA; 19: PN: WO03106645 MUKA SURAT: 71 mendakwa R NA; 59: PN: US20030166592 MUKA SURAT: 15 dituntut RNA; 6: PN: WO2005006958 MUKA SURAT: 62 mendakwa R NA; 83: PN: US20040171566 MUKA SURAT: 18 mendakwa R NA; 8: PN: WO2005007825
MUKA SURAT: 62 mendakwa R NA; 90: PN: US20040005707 MUKA SURAT: 20 dituntut R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytriyl-5-
methylcytidine
| Hartanah tersedia |
| terma |
terma
| Harta benda | Nilai | keadaan | Sumber |
| Takat 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 |
| bahan kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 291 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 644 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 3690 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 15600 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 23700 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 24800 | pH 6; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 23300 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 14100 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 3010 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 558 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
bahan kimia
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 569 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 1.3 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.011 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 5.0 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.7 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.1 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Jisim | 1.4 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.3 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.4 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.3 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.1 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 5.8 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.4 x 10-4 g/L | Air Tidak Tertimbal pH 6.97; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.8 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.5 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.9 x 10-6 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.2 x 10-6 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.9 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.9 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.8 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.9 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.2 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.5 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 8.0 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.9 x 10-7 mol/L | Air Tidak Tertimbal pH 6.97; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 721.80 | ||
| pKa | 8.60±0.40 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Suhu Paling Asas: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.26±0.1 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 572.5±7.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 15 | (1) ACD | |
| Harta benda | Nilai | keadaan | Sumber |
| H Penerima | 12 | (1) ACD | |
| H Penderma | 2 | (1) ACD | |
| H Jumlah Penderma/Penerima | 14 | (1) ACD | |
| logP | 6.093±0.720 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 721.80 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
| Harta benda | 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 | Kenyataan Bahaya | Sumber |
| H335 | Boleh menyebabkan kerengsaan pernafasan | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
| H319 | Menyebabkan kerengsaan mata yang serius | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
| H315 | Menyebabkan kerengsaan kulit | Inventori Klasifikasi&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling biasa, Inventori Pengelasan&Pelabelan Agensi Kimia Eropah (ECHA) - Pengelasan dan pelabelan diberitahu - pemberitahuan paling serius |
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