![C17H19N3O6 Thymidine, α -oxo- α - [(fenilmetilia) amino] - (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 Thymidine, α -oxo- α - [(fenilmetilia) amino] - (ACI) Irudi nabarmena](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine.png)
C17H19N3O6 Thymidine, α -oxo- α - [(fenilmetilia) amino] - (aci)
CAS Erregistroaren zenbakia
944268-75-1
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 361,35 | - |
| Dentsitatea (aurreikusitakoa) | 1.459 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
| pka (aurreikusita) | 8.27 ± 0,10 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
O = C1NC (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (co) c (o) c3
Irribarre isomerikoak
O = c1n ([c @ h] 2o [c @ h] [c @ h] [c @ h] [c) [o) c2) c = c (c (n) (c (ncc3 = cc = cc = c3) = o) c (= o) n1
Inchi
Inchi = 1s / c17h19n3o6 / c21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16) 19-17 (20) 25) 15 (23) 18-7-10-4-2-1-3-5-14-21-22: 6-7,9 H2, (h, 18,23) (h, 19,24,25) / t12-, 13 +, 14 + / m0 / s1
Inchi gakoa
Vbryagcuexfmkm-bfhyxjousa-n
Substantzia honetarako beste izen batzuk
α -oxo-α - [(fenilmetilia) amino] thymidine (aci); (BNDU); 7: PN: WO2020081510 SEQID: 7 erreklamatutako sekuentzia
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Dentsitate
Lipinski
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetza Balioaren egoera Iturria |
| Koc 18.3 pH 1; Temp: 25 ° C (1) ACD |
| Koc 18.3 pH 2; Temp: 25 ° C (1) ACD |
| Koc 18.3 pH 3; Temp: 25 ° C (1) ACD |
| Koc 18.3 pH 4; Temp: 25 ° C (1) ACD |
| Koc 18.3 PH 5; Temp: 25 ° C (1) ACD |
| Koc 18.1 pH 6; Temp: 25 ° C (1) ACD |
| Koc 16.4 pH 7; Temp: 25 ° C (1) ACD |
| Koc 8,56 pH 8; Temp: 25 ° C (1) ACD |
| Koc 1.62 pH 9; Temp: 25 ° C (1) ACD |
| Koc 1.0 pH 10; Temp: 25 ° C (1) ACD |
| Logd -0.21 pH 1; Temp: 25 ° C (1) ACD |
| LogD -0.21 PH 2; Temp: 25 ° C (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| sintika | -0,21 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | -0,21 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | -0,21 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | -0,22 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | -0,26 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | -0,54 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | -1,26 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | -1,95 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | -0.212 ± 0,585 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 0,13 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,13 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,13 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,13 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,13 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,13 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,14 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,15 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,29 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 1,5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 7,2 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,14 g / l | URAREN PH 5,68; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 3,7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,7 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 3,8 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 4.2 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 8,0 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 4.2 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 0,020 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun molarra | 3,8 x 10-4 mol / l | URAREN PH 5,68; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 361,35 | ||
| pka | 8.27 ± 0,10 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | -1,66 ± 0,20 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Baldintza | Iturri |
| Dentsitate | 1.459 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 247,5 ± 3.0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 7 | (1) ACD | |
| H Onartzaileak | 9 | (1) ACD | |
| H Emaileak | 4 | (1) ACD | |
| H emaile / onartzaileen batura | 13 | (1) ACD | |
| logpp | -0.212 ± 0,585 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 361,35 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Egoeraren iturria |
| Azalera polarra | 128 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1 h nmr
13 c nmr
![C21H21N3O6 Thymidine, α - [(1-naphtalenylmethyl) amino] - α -oxo- (aci)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C10h12n2o5 6h-furo [2 '5, 3,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2,3,3a, 9a-Tetrah Ydro-3-Hydroxy -7 -7-Methyl-, 9ar) - (9ci, aci)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C9H10N2O5 6h-furo [2 '5: 4,5] [3,3-a] Pyrimidin-6-One, 2,3,3a, 9a-Tetrah Ydro-3-Hydroxy-2- (HydroxyMethyl) - (2R, 3 R, 3as, 9ar) - (9ci, aci)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo-300x300.png)