C42H39N3O8 Nog nie toegewys nie
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 713,78 | - |
| Digtheid (voorspel) | 1,315±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Voorspel) | 8,23±0,10 | Mees suur Temp: 25 °C |
Kanoniese 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
Isomeriese GLIMLAGE
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
InChI
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,23-24,26H2,1-2H3,(H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
InChI-sleutel
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Eiendomme beskikbaar |
| Biologiese |
| Eiendomme beskikbaar |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 41700 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 41700 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 41700 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 41700 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 41700 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 41200 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 36900 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 18100 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3290 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 718 | pH 10; Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| Koc | 70600 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 70600 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 70600 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 70600 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 70500 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 69700 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 62400 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 30600 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 5560 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 1210 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 6,38 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 6,38 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 6,38 | pH 3; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logD | 6,38 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 6,38 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 6,38 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 6.33 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 6.02 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 5.28 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 4,62 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 6,382±0,644 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 5,1 x 10-7 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-7 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-7 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-7 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-7 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-7 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-7 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,7 x 10-7 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,1 x 10-6 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 6,4 x 10-6 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,9 x 10-5 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,7 x 10-7 g/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 7,1 x 10-10 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,1 x 10-10 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,1 x 10-10 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,1 x 10-10 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,1 x 10-10 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,1 x 10-10 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,2 x 10-10 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 8,0 x 10-10 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-9 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 9,0 x 10-9 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 4,1 x 10-8 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 8,0 x 10-10 mol/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molekulêre gewig | 713,78 | ||
| pKa | 8,23±0,10 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | -1,90±0,20 | Mees Basiese Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,315±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 542,7±3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 13 | (1) ACD | |
| H Aanvaarders | 11 | (1) ACD | |
| H Skenkers | 3 | (1) ACD | |
| H Skenker/Aanvaarder Som | 14 | (1) ACD | |
| logP | 6,382±0,644 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 713,78 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 136 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
![C41H41N5O8 Adenosien, N-bensoyl-5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'- O-(2-metoksiediel)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C41H43N3O9 Sitidien, N-bensoyl-5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-O- (2-metoksiediel)-5-metiel- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C34H39N3O8 Sitidien, 5'-O-[bis(4-metoksifeniel)fenielmetiel]-2'-O-(2-metoksietiel)-5-metiel- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmetoksi)karboniel]-L-valiel-N5- (aminokarboniel)-N-[4-(hidroksimetiel)feniel]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C42H52N5O9P Sitidien, N-asetiel-5'-O- [bis(4-metoksifeniel)fenielmetiel]-2' -O-metiel-, 3' – [2-sianoetiel N,N-bis(1-metieletiel)fosforamidiet] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)