![C21H21N3O6 Timidien, α – [(1-naftalenielmetiel)amino]- α-okso- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H21N3O6 Timidien, α – [(1-naftalenielmetiel)amino]- α-okso- (ACI) Uitgestalte beeld](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine.png)
C21H21N3O6 Timidien, α – [(1-naftalenielmetiel)amino]- α-okso- (ACI)
CAS-registernommer
1262015-90-6
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 411,41 | - |
| Digtheid (voorspel) | 1,460±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (Voorspel) | 8,23±0,10 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAGE
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
Isomeriese GLIMLAGE
O=C1N(C=C(C(NCC=2C3=C(C=CC2)C=CC=C3)=O)C(=O)N1)[C@@H]4O[C@H](CO )[C@@H](O)C4
InChI
InChI= 1S/C21H21N3O6/c25-11-17-16(26)8-18(30-17)24-10-15(20(28)23-21(24)29)19(27)22-9- 13-6-3-5-12-4-1-2-7-14(12)13/h1- 7,10,16-18,25-26H,8-9,11H2,(H,22,27 )(H,23,28,29)/t16-,17+,18+/m0/s1
InChI-sleutel
UUDHOSZAWIHGTB-RCCFBDPRSA-N
3 Ander name vir hierdie stof
a-[(1-naftalenielmetiel)amino]-a-oksotimidien (ACI);(NapdU);87: PN: WO2020081510 SEQID: 87 geëis volgorde
Eiendomme beskikbaar
Biologiese
Chemies
Digtheid
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 3.23 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3.23 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3.23 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3.23 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3.23 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 3.19 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2,85 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1,40 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | 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)
| Eiendomswaarde Toestand Bron |
| Koc 80,5 pH 1;Temp: 25 °C (1) ACD |
| Koc 80,5 pH 2;Temp: 25 °C (1) ACD |
| Koc 80,5 pH 3;Temp: 25 °C (1) ACD |
| Koc 80,5 pH 4;Temp: 25 °C (1) ACD |
| Koc 80,4 pH 5;Temp: 25 °C (1) ACD |
| Koc 79,5 pH 6;Temp: 25 °C (1) ACD |
| Koc 71.1 pH 7;Temp: 25 °C (1) ACD |
| Koc 34,9 pH 8;Temp: 25 °C (1) ACD |
| Koc 6,35 pH 9;Temp: 25 °C (1) ACD |
| Koc 1,39 pH 10;Temp: 25 °C (1) ACD |
| logD 0,97 pH 1;Temp: 25 °C (1) ACD |
| logD 0,97 pH 2;Temp: 25 °C (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logD | 0,97 | pH 3;Temp: 25 °C | (1) ACD |
| logD | 0,97 | pH 4;Temp: 25 °C | (1) ACD |
| logD | 0,97 | pH 5;Temp: 25 °C | (1) ACD |
| logD | 0,97 | pH 6;Temp: 25 °C | (1) ACD |
| logD | 0,92 | pH 7;Temp: 25 °C | (1) ACD |
| logD | 0,61 | pH 8;Temp: 25 °C | (1) ACD |
| logD | -0,13 | pH 9;Temp: 25 °C | (1) ACD |
| logD | -0,79 | pH 10;Temp: 25 °C | (1) ACD |
| logP | 0,973±0,586 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 5,3 x 10-3 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,8 x 10-3 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,012 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,066 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,30 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,3 x 10-3 g/L | Ongebufferde water pH 6,37;Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 1,3 x 10-5 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-5 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-5 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-4 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,4 x 10-4 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | Ongebufferde water pH 6,37;Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 411,41 | ||
| 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)
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,460±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molêre volume | 281,6±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)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 7 | (1) ACD | |
| H Aanvaarders | 9 | (1) ACD | |
| H Skenkers | 4 | (1) ACD | |
| H Skenker/Aanvaarder Som | 13 | (1) ACD | |
| logP | 0,973±0,586 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 411,41 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Waarde | Toestand Bron |
| Polêre Oppervlakte | 128 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
![C17H19N3O6 Timidien, α-okso- α-[(fenielmetiel)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)