![C17H19N3O6 ThyMidine, α -oxo- α - [(Phenylmethyl) Amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C17H19N3O6 ThyMidine, α -oxo- α - [(Phenylmethyl) Amino] - (ACI)
Numero sa Registry sa Cas
944268-75-1
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 361.35 | - |
| Densidad (gitagna) | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 8.27 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
O = c1nc (= o) n (c = c1c (=) NCC = 2C = CC2) C3OC (CO) C (O) C3
Isomeric smile
O = c1n ([c @@ h] 2o [c @ h] [c @@ h] (c (cc = c. o) C
Inchi
Inchi = 1s / C17H19N3O6 / C21-9-13-12 (22-13) 20 (24) 18-17 H2, (H, 18,23) (H, 19,24,25) / T12-, 13 + 14 + 14 + 14 S1 / S1
Yawe sa inchi
Vbryagcuexfmkm-bfhyxjousma-n
3 Uban pang mga Ngalan alang sa kini nga sangkap
α -oxo-α - [(Phenylmethyl) Amino] thymidine (Aci); (Bndu); 7: PN: WO2020081510 SEQIID: 7 nga giangkon nga pagkasunud-sunod
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Density
Lipinski
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1.0 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Tinubdan sa Kondisyon sa Kondisyon sa Property |
| Koc 18.3 Ph 1; Tats: 25 ° C (1) ACD |
| Koc 18.3 Ph 2; Tats: 25 ° C (1) ACD |
| Koc 18.3 PH 3; Tats: 25 ° C (1) ACD |
| 7.3 Ph 4; Tats: 25 ° C (1) ACD |
| Koc 18.3 Ph 5; Tats: 25 ° C (1) ACD |
| 18.1 Ph 6; Tats: 25 ° C (1) ACD |
| 16.4 Ph 7; Tats: 25 ° C (1) ACD |
| 8.56 PH 8; Tats: 25 ° C (1) ACD |
| 1.62 PH 9; Tats: 25 ° C (1) ACD |
| 1.0 Ph 10; Tats: 25 ° C (1) ACD |
| logd -0.21 pH 1; Tats: 25 ° C (1) ACD |
| logd -0.21 pH 2; Tats: 25 ° C (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | -0.21 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | -0.21 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | -0.21 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | -0.22 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | -0.26 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | -0.54 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | -1.26 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | -1.95 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | -0.212 ± 0.585 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.13 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.14 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.15 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.29 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 7.2 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.14 g / l | Wala'y tubig nga Ph 5.68; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 3.7 x 10-4 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.8 x 10-4 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.2 x 10-4 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 8.0 x 10-4 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.2 x 10-3 Mol / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.020 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 3.8 x 10-4 MOL / L | Wala'y tubig nga Ph 5.68; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 361.35 | ||
| pka | 8.27 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -1.66 ± 0.20 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Density | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 247.5 ± 3.0 cm3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 7 | (1) ACD | |
| H Pagdawat | 9 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor / Pagdawat Sum | 13 | (1) ACD | |
| logP | -0.212 ± 0.585 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 361.35 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Gigikanan sa kondisyon |
| Dapit sa Polar sa Polar | 128 A2 | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Magamit ang Spectra
1 h nmr
13 C NMR
![C21H21N3O6 Thymidine, α - [(1-naphthalenylethyl) Amino] - α -oxo- (Aci)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
