![C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-sianoetil N,N-bis (1-metiletil) fosforamidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-sianoetil N,N-bis (1-methylethyl) phosphoramidit] (ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Sitidin, N-benzoil-5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O- (2-metoksietil)- 5-metil-, 3′ – [2-sianoetil N,N-bis (1-metiletil) fosforamidit] (ACI)
Nomer Registry CAS
163759-94-2
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 922.01 | - |
| pKa (Prediksi) | 8.59±0.40 | Suhu Paling Asam: 25 °C |
SMILES kanonik
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
Isomerik SMILES
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
IngChI
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(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 Jeneng Liyane kanggo Zat iki
Cytidine,N-benzoil-5′-O- [bis(4-metoksifenil)fenilmetil]-2′-O-(2-methoxyethyl)- 5-metil-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidit] (9CI); 12: PN: WO03084478 PAGE: 57 ngaku DNA; 14: PN: US20030170636 PAGE: 17 ngaku DNA; 15: PN: U
S20030211606 PAGE: 19 ngaku DNA; 15: PN: US20030212017 PAGE: 19 ngaku DNA; 16: PN: US20040005569 PAGE: 22 ngaku DNA; 17: PN: US20040006030 PAGE: 23 ngaku DNA; 17: PN: US20040014049 PAGE: 20 ngaku DNA; 18: PN: US20040014047 PAG E: 20 ngaku DNA; 18: PN: US20040014048 PAGE: 20 ngaku DNA; 18: PN: US20040014050 PAGE: 20 ngaku DNA; 19: PN: U
S20030171313 PAGE: 9 ngaku DNA; 19: PN: US20030198965 PAGE: 20 ngaku DNA; 19: PN: US20040005565 PAGE: 17- 22 ngaku DNA; 19: PN: US20040005570 PAGE: 20 ngaku DNA; 19: PN: US20040014051 PAGE: 22 ngaku DNA; 20: PN: US20040014699 PAG
E: 20 ngaku DNA; 21: PN: US20040006029 PAGE: 23 ngaku DNA; 21: PN: WO03106645 PAGE: 72 ngaku DNA; 61: PN: US20030
166592 PAGE: 15 ngaku DNA; 7: PN: WO2005006958 PAGE: 62 ngaku DNA; 84: PN: US20040171566 PAGE: 18 ngaku DNA; 92:
PN: US20040005707 PAGE: 20 ngaku DNA; 9: PN: WO2005007825 PAGE: 62 ngaku DNA;N4-Benzyl-2′-O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -fosforamidit;N4-Benzyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine-3′ - amida
Spectra kasedhiya
13 C NMR
Hetero NMR
Properti kasedhiya
biologi
Kimia
Lipinski
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 171 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1250 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 47600 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 6,44 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,00 x 106 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 7,79 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1,63 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 30800 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | 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 |
| Properti | Nilai | kahanan | 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 |
| Kelarutan Intrinsik Massa | 1,4 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,16 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,1 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,0 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,5 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,4 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,5 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 2,5 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,2 x 10-3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 6,3 x 10-3 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,5 x 10-4 g/L | Banyu Unbuffered pH 6,97; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,5 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,2 x 10-3 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 1,7 x 10-4 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,4 x 10-6 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,2 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-7 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,5 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-7 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,7 x 10-7 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-6 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 6,8 x 10-6 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,6 x 10-7 mol/L | Banyu Unbuffered pH 6,97; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 922.01 | ||
| pKa | 8.59±0.40 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 22 | (1) ACD | |
| H. Akseptor | 15 | (1) ACD | |
| H. Donor | 1 | (1) ACD | |
| H Jumlah Donor / Akseptor | 16 | (1) ACD | |
| logP | 8.401±0.723 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 922.01 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 176 A2 | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1 H NMR
13 C NMR
![C40H49N4O9P Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-metil-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C33H35N3O8 Sitidin, N-asetil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O- metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-metoxyphenyl)fenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C41H43N3O9 Sitidin, N-benzoil-5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)