![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)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-N-(2-metyl-1-oksopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-metyletyl) fosforamidyt] (ACI) Featured Image](https://www.csnvchem.com/uploads/C45H56N7O9P.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)
CAS-registraasjenûmer
150780-67-9
H303
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 869.94 | - |
| pKa (Foarsein) | 9.16±0.20 | Soerste temperatuer: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)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](OC)[C@@H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC) C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
YnChI
InChI= 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62(539245-
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/o10-12,14-23,27 -30,36,38-39,43O,13,25-26O2,1-9O3,(O2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
InChI-kaai
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Oare namme foar dizze stof
Guanosine, 5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′ -O-metyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl bis(1-methylethyl) fosforamidyt] (9CI)
Spektra beskikber
13C NMR
Hetero NMR
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 183 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3890 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 35500 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.08 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,36 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,39 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,38 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.24 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 63600 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 11900 | 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 | 220 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 4680 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 42600 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 1.30 x 105 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 1,63 x 105 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 1,67 x 105 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 1,65 x 105 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 1,49 x 105 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 76400 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 14200 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 5.52 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 6.48 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 6.96 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 7.06 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 7.07 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 7.07 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 7.02 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 6.73 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 6.00 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 7.072±0.721 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 1,2 x 10-4 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,096 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,3 x 10-3 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,8 x 10-4 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,6 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-4 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-4 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-4 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,7 x 10-4 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-3 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,2 x 10-4 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,4 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-4 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,0 x 10-6 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,5 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 1,4 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,1 x 10-7 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-6 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-7 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 869.94 | ||
| pKa | 9.16±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | 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 | 19 | (1) ACD | |
| H-akseptors | 16 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 18 | (1) ACD | |
| logP | 7.072±0.721 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 869.94 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 194 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H303 | Kin skealik wêze as it ynslokt wurdt | Ekspert gearstald |
![C53H66N7O8PSi CAS-nr.: 104992-55-4 Adenosine, N-benzoyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′ – O- [(1,1-dimethyletyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)...](https://www.csnvchem.com/uploads/C53H66N7O8PSi-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)
![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)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′ – O-(2-metoksytyl)-, 3′ – [2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C50H58N7O9P-Adenosine-300x300.png)
![C43H55N4O10P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksyetyl)-5-metyl-, 3′-[2-cyanoetyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine-300x300.png)
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis(4-metoksyfenyl)fenylmetyl]-2′ – O-metyl-, 3′ – [2-cyanoethyl N,N-bis(1-metyletyl)fosforamidyt] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)