![C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′-O- (2-metoksytyl)-5-metyl-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl) fosforamidyt] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′-O- (2-metoksytyl)-5-metyl-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl) fosforamidyt] (ACI) Featured Image](https://www.csnvchem.com/uploads/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′-O- (2-metoksytyl)-5-metyl-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl) fosforamidyt] (ACI)
CAS-registraasjenûmer
163759-94-2
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 922.01 | - |
| pKa (Foarsein) | 8,59±0,40 | Soerste temperatuer: 25 °C |
Kanonike SMILES
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
Isomere 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
YnChI
YnChI= 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
InChI-kaai
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Oare nammen foar dizze stof
Cytidine,N-benzoyl-5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′ -O-(2-metoksyetyl)-5-metyl-, 3′-[2-cyanoetyl bis(1-metyletyl) fosforamidyt] (9CI); 12: PN: WO03084478 SIDE: 57 opeaske DNA; 14: PN: US20030170636 SIDE: 17 opeaske DNA; 15: PN: U
S20030211606 SIDE: 19 opeaske DNA; 15: PN: US20030212017 SIDE: 19 opeaske DNA; 16: PN: US20040005569 SIDE: 22 opeaske DNA; 17: PN: US20040006030 SIDE: 23 opeaske DNA; 17: PN: US20040014049 SIDE: 20 opeaske DNA; 18: PN: US20040014047 SIDE E: 20 opeaske DNA; 18: PN: US20040014048 SIDE: 20 opeaske DNA; 18: PN: US20040014050 SIDE: 20 opeaske DNA; 19: PN: U
S20030171313 SIDE: 9 opeaske DNA; 19: PN: US20030198965 SIDE: 20 opeaske DNA; 19: PN: US20040005565 SIDE: 17- 22 opeaske DNA; 19: PN: US20040005570 SIDE: 20 opeaske DNA; 19: PN: US20040014051 SIDE: 22 opeaske DNA; 20: PN: US20040014699 PAG
E: 20 opeaske DNA; 21: PN: US20040006029 SIDE: 23 opeaske DNA; 21: PN: WO03106645 SIDE: 72 opeaske DNA; 61: PN: US20030
166592 SIDE: 15 opeaske DNA; 7: PN: WO2005006958 SIDE: 62 opeaske DNA; 84: PN: US20040171566 SIDE: 18 opeaske DNA; 92:
PN: US20040005707 SIDE: 20 opeaske DNA; 9: PN: WO2005007825 SIDE: 62 opeaske DNA;N4-Benzoyl-2′ -O-metoksyetyl-5-O- dimethoxytrityl-5-methylcytidine-3′-fosforamidyt;N4-Benzoyl-2′ -O-metoksyetyl-5′ -O-dimethoxytrityl-5-methylcytidine-3′-amidyt
Spektra beskikber
13C NMR
Hetero NMR
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 171 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1250 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 47600 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 6,44 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.00 x 106 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.00 x 106 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.00 x 106 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 7,79 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,63 x 105 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 30800 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 106 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 773 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 29500 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 3,99 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 8,70 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 4,83 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 19100 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 4.48 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 5.34 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 6.92 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 8.06 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 8.36 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 8.39 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 8.37 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 8.14 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 7.46 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 6.73 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 1,4 x 10-4 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,16 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,1 x 10-3 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,0 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,5 x 10-4 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,5 x 10-4 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,5 x 10-4 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-3 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 6,3 x 10-3 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,5 x 10-4 g/L | Unbufferd wetter pH 6.97; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,5 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,2 x 10-3 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 1,7 x 10-4 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,4 x 10-6 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,2 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,5 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,7 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-6 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 6,8 x 10-6 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-7 mol/L | Unbufferd wetter pH 6.97; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 922.01 | ||
| pKa | 8,59±0,40 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 22 | (1) ACD | |
| H-akseptors | 15 | (1) ACD | |
| H Donateurs | 1 | (1) ACD | |
| H Donor/Akseptor Som | 16 | (1) ACD | |
| logP | 8.401±0.723 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 922.01 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 176 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
![C42H52N5O9P Cytidine, N-acetyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine-300x300.png)
![C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′ – deoksy-2′-fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C45H56N7O9P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-N-(2-metyl-1-oksopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-metylethyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C45H56N7O9P-300x300.png)
![C44H53FN7O8 Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro-N-(2-metyl-1-oksopropyl)-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C44H53FN7O8-300x300.png)
![C47H51FN7O7P Adenosine, N-benzoyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′ – deoksy-2′-fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine-300x300.png)
![C47H60N7O10P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-N-(2-metyl-1-oksopropyl)-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)