![C21H21N3O6 Thymidine, α - [(1-naphthalenylethyl) Amino] - α -oxo- (Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C21H21N3O6 Thymidine, α - [(1-naphthalenylethyl) Amino] - α -oxo- (Aci)
Numero sa Registry sa Cas
1262015-90-6
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 411.41 | - |
| Densidad (gitagna) | 1.460 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 8.23 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
Isomeric smile
O = C1N (C = C (C (NCC = 2C3 = c = c. c. c.
Inchi
Inchi = 1S / C21H21N3O6 / C25-11-18-16 (26-18) 24-17) 19-17) 7,10,16-18,25-26h, 8-9,1112, (H, 22,27) (H, 23,28,29) /,29) /,,, M0 / S1
Yawe sa inchi
UudhoszawhawGtb-RCCFBDPSSA-N
3 Uban pang mga Ngalan alang sa kini nga sangkap
α - [(1-naphthalenylmethyl) Amino] - α -oxothymidine (Aci); (NAPU); 87: PN: WO2020081510 SEQIID: 87 nga pag-angkon nga pagkasunud-sunod
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Density
Lipinski
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 3.23 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3.23 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3.23 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3.23 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3.23 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 3.19 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2.85 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.40 | 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 |
| 80.5 Ph 1; Tats: 25 ° C (1) ACD |
| 80.5 Ph 2; Tats: 25 ° C (1) ACD |
| 80.5 Ph 3; Tats: 25 ° C (1) ACD |
| 80.5 Ph 4; Tats: 25 ° C (1) ACD |
| 80.4 Ph 5; Tats: 25 ° C (1) ACD |
| 79.5 Ph 6; Tats: 25 ° C (1) ACD |
| 71.1 Ph 7; Tats: 25 ° C (1) ACD |
| Koc 34.9 PH 8; Tats: 25 ° C (1) ACD |
| 6.35 Ph 9; Tats: 25 ° C (1) ACD |
| 1.39 Ph 10; Tats: 25 ° C (1) ACD |
| logd 0.97 Ph 1; Tats: 25 ° C (1) ACD |
| logd 0.97 pH 2; Tats: 25 ° C (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 0.97 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 0.97 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 0.97 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 0.97 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 0.92 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 0.61 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | -0.13 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | -0.79 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 0.973 ± 0.586 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.3 x 10-3 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-3 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.012 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.066 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.30 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g / l | Wala'y pulos nga tubig Ph 6.37; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.3 x 10-5 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-5 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 x 10-5 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-4 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.4 x 10-4 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 1.3 x 10-5 MOL / L | Wala'y pulos nga tubig Ph 6.37; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 411.41 | ||
| pka | 8.23 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -1.90 ± 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 | 1.460 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 281.6 ± 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 | 0.973 ± 0.586 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 411.41 |
(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
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