C42H39N3O8 Noch net tawiisd
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 713.78 | - |
| Dichtheid (foarsein) | 1,315 ± 0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 8.23±0.10 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomere SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C(=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
YnChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5 -13-29,31-17-21-33(51-2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43-24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23H-24,4,4,4,4,24,4,24,46 (H,44,48,49)/t36-,37+,38+/m0/s1
InChI-kaai
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Beskikbere eigenskippen |
| Biologysk |
| Beskikbere eigenskippen |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 41700 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 41700 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 41700 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 41700 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 41700 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 41200 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 36900 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 18100 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3290 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 718 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 70600 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 70600 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 70600 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 70600 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 70500 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 69700 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 62400 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 30600 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 5560 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 1210 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 6.38 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 6.38 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 6.38 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | 6.38 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 6.38 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 6.38 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 6.33 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 6.02 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 5.28 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 4.62 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 6.382±0.644 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 5,1 x 10-7 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-7 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-7 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-7 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-7 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-7 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,1 x 10-7 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,7 x 10-7 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-6 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 6,4 x 10-6 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,9 x 10-5 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,7 x 10-7 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 7,1 x 10-10 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,1 x 10-10 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,1 x 10-10 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,1 x 10-10 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,1 x 10-10 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,1 x 10-10 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 7,2 x 10-10 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 8,0 x 10-10 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-9 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 9,0 x 10-9 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,1 x 10-8 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 8,0 x 10-10 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molekulêr gewicht | 713.78 | ||
| pKa | 8.23±0.10 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | -1.90±0.20 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,315 ± 0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 542,7±3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 13 | (1) ACD | |
| H-akseptors | 11 | (1) ACD | |
| H Donateurs | 3 | (1) ACD | |
| H Donor/Akseptor Som | 14 | (1) ACD | |
| logP | 6.382±0.644 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 713.78 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 136 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
![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://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine-300x300.png)
![C31H32N2O8 Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl- (9C I, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![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://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C21H23N3O5 L-Ornithine, N5-(aminokarbonyl)-N2-[(9H-fluoreen-9-ylmetoksy)karbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)