![C41H41N5O8 Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'- O-(2-methoxyethyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'- O-(2-methoxyethyl)- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'- O-(2-methoxyethyl)- (9CI, ACI)
| Key Physical Properties | Wearde | Betingst |
| Molekuul gewicht | 731.79 | - |
| Smeltpunt (eksperiminteel) | 119-121 °C | - |
| Tichtheid (foarsein) | 1,31±0,1 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (foarsein) | 7,87±0,43 | Meast soere Temp: 25 °C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
Isomere SMILES
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C
=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Oare nammen foar dizze stof
N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)adenosine (ACI);17: PN: US20030211606 PAGE: 19 opeaske sequence;18: PN: US20040005569 PAGE: 22 opeaske sequence;20: PN: US20040006030 PAGE: 23 opeaske sequence;20: PN: US20040014047 PAGE: 21 opeaske sequence;20: PN: US20040014049 PAGE: 21 opeaske sequence;21: PN: US20040005570 PAG
E: 20 opeaske folchoarder;21: PN: US20040014048 PAGE: 21 opeaske sequence;21: PN: US20040014050 PAGE: 20 opeaske sequence;22: PN: US20040005565 PAGE: 17- 22 opeaske folchoarder;22: PN: US20040014051 PAGE: 23 opeaske sequence;23: PN: US20040 014699 PAGE: 20 opeaske sequence;24: PN: US20040006029 PAGE: 23 opeaske sequence;24: PN: WO03106645 PAGE: 73 opeaske folchoarder;5'-Dimethoxytrityl-2'-O-(2-Methoxyethyl)-N6-benzoyl adenosine;95: PN: US20040005707 PAGE: 20 opeaske folchoarder
| Eigenskippen beskikber |
| Thermal |
Thermal
| Besit | Wearde | Betingst | Boarne |
| Smeltpunt | 119-121 °C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosiden, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra beskikber
1H NMR
13C NMR
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Tichtheid |
| Lipinski |
| Struktuer Related |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 31700 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,08 x 105 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,43 x 105 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,48 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,48 x 105 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,45 x 105 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1,19 x 105 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 43000 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 7050 | pH 9;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 2060 | pH 10;Temp: 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 | 37400 | pH 1;Temp: 25 °C | (1) ACD |
| Koc | 1,28 x 105 | pH 2;Temp: 25 °C | (1) ACD |
| Koc | 1,69 x 105 | pH 3;Temp: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 4;Temp: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 5;Temp: 25 °C | (1) ACD |
| Koc | 1,71 x 105 | pH 6;Temp: 25 °C | (1) ACD |
| Koc | 1,40 x 105 | pH 7;Temp: 25 °C | (1) ACD |
| Koc | 50700 | pH 8;Temp: 25 °C | (1) ACD |
| Koc | 8320 | pH 9;Temp: 25 °C | (1) ACD |
| Koc | 2430 | pH 10;Temp: 25 °C | (1) ACD |
| logD | 6.44 | pH 1;Temp: 25 °C | (1) ACD |
| logD | 6.97 | pH 2;Temp: 25 °C | (1) ACD |
| logD | 7.09 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 7.11 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 7.11 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 7.10 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 7.01 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 6.57 | pH 8;Temp: 25 °C | (1) ACD |
| logD | 5.78 | pH 9;Temp: 25 °C | (1) ACD |
| logD | 5.25 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 7.109±0.766 | Temp: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 5,6 x 10-6 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 2,6 x 10-5 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 7,3 x 10-6 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,8 x 10-6 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,6 x 10-6 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,6 x 10-6 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,7 x 10-6 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 7,0 x 10-6 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massasolubiliteit | 1,9 x 10-5 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,2 x 10-4 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 4,0 x 10-4 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 7,0 x 10-6 g/L | Unbuffered wetter pH 7,00;Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 7,6 x 10-9 mol/L | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 3,6 x 10-8 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,0 x 10-8 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 7,9 x 10-9 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 7,7 x 10-9 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 7,7 x 10-9 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 7,8 x 10-9 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 9,6 x 10-9 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 2,6 x 10-8 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,6 x 10-7 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 5,5 x 10-7 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 9,5 x 10-9 mol/L | Unbuffered wetter pH 7,00;Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 731.79 | ||
| pKa | 7,87±0,43 | Meast soere Temp: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | Meast Basic Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tichtheid
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,31±0,1 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molar Volume | 556,9±7,0 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 draaibare obligaasjes | 15 | (1) ACD | |
| H Aksepteurs | 13 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor / Akseptor Sum | 15 | (1) ACD | |
| Besit | Wearde | Betingst | Boarne |
| logP | 7.109±0.766 | Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 731.79 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Polar Surface Area | 148 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
![C30H30N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2' - O-(2-methoxyethyl)-, 3' - [2-cyanoethyl N,N-bis(1-methylethyl) ) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C30H29FN2O7 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoksy-2'-fluoro- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C31H30N2O7 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-on, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
