![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-metiletil) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-metiletil) fosforamidit] (ACI) Imej Pilihan](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-metiletil) fosforamidit] (ACI)
Nombor Pendaftaran CAS
163759-94-2
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 922.01 | - |
| pKa (Diramalkan) | 8.59±0.40 | Suhu Paling Berasid: 25 °C |
SENYUM Canonical
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O))NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
SENYUMAN Isomerik
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13- 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45( 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1
Kunci InChI
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Nama Lain untuk Bahan ini
Cytidine,N-benzoil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidit] (9CI); 12: PN: WO03084478 MUKA SURAT: 57 mendakwa DNA; 14: PN: US20030170636 MUKA SURAT: 17 mendakwa DNA; 15: PN: U
S20030211606 MUKA SURAT: 19 mendakwa DNA; 15: PN: US20030212017 MUKA SURAT: 19 mendakwa DNA; 16: PN: US20040005569 MUKA SURAT: 22 DNA yang dituntut; 17: PN: US20040006030 MUKA SURAT: 23 DNA yang dituntut; 17: PN: US20040014049 MUKA SURAT: 20 DNA yang dituntut; 18: PN: US20040014047 PAG E: 20 DNA yang dituntut; 18: PN: US20040014048 MUKA SURAT: 20 DNA yang dituntut; 18: PN: US20040014050 MUKA SURAT: 20 DNA yang dituntut; 19: PN: U
S20030171313 MUKA SURAT: 9 mendakwa DNA; 19: PN: US20030198965 MUKA SURAT: 20 DNA yang dituntut; 19: PN: US20040005565 MUKA SURAT: 17- 22 DNA yang dituntut; 19: PN: US20040005570 MUKA SURAT: 20 DNA yang dituntut; 19: PN: US20040014051 MUKA SURAT: 22 DNA yang dituntut; 20: PN: US20040014699 PAG
E: 20 DNA yang dituntut; 21: PN: US20040006029 MUKA SURAT: 23 mendakwa DNA; 21: PN: WO03106645 MUKA SURAT: 72 mendakwa DNA; 61: PN: US20030
166592 MUKA SURAT: 15 mendakwa DNA; 7: PN: WO2005006958 MUKA SURAT: 62 DNA yang dituntut; 84: PN: US20040171566 MUKA SURAT: 18 DNA yang dituntut; 92:
PN: US20040005707 MUKA SURAT: 20 DNA yang dituntut; 9: PN: WO2005007825 MUKA SURAT: 62 DNA yang dituntut;N4-Benzoil-2′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidit;N4-Benzoil-2′ -O-methoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidine-3′ - amida
Spektrum tersedia
13 C NMR
Hetero NMR
Hartanah tersedia
Biologi
bahan kimia
Lipinski
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 171 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1250 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 47600 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 6.44 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.00 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 7.79 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.63 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 30800 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 106 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 3.99 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 8.70 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 4.83 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 1.4 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.1 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.16 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.1 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.0 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.5 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.4 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.5 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.5 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.2 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 6.3 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.5 x 10-4 g/L | Air Tidak Tertimbal pH 6.97; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.5 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.2 x 10-3 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 1.7 x 10-4 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.4 x 10-6 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.2 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.6 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.5 x 10-7 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.6 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.7 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.3 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 6.8 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.6 x 10-7 mol/L | Air Tidak Tertimbal pH 6.97; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 922.01 | ||
| pKa | 8.59±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)
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 22 | (1) ACD | |
| H Penerima | 15 | (1) ACD | |
| H Penderma | 1 | (1) ACD | |
| H Jumlah Penderma/Penerima | 16 | (1) ACD | |
| logP | 8.401±0.723 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 922.01 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 176 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 H NMR
13 C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-metil-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)
![C41H49FN5O8P Cytidine, N-asetil-5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) fosfor amidit] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
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![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-metiletil)fosforamidit] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
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