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C21h21n3o6 thymidine, α - [(1-naphthanylmethyl) amino] - α -oxo- (aci)
Àireamh Clàrs Cas
1262015-90-6-6
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 411.41 | - |
| Dùmhlachd (ro-innse) | 1.460 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 8.23 ± 0.10 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
O = c1nc (= o) n (C = c = cc = cc = cc = 3c = cc = cc = cc = cc = cc = cc = cc = cc32) c4oc (o) c4
Gàire isomicic
O = c1n (c = c (C (NCC = 2c3 = c = cc2) = CC2) = CC2) = c/) (C @/) C4
Inchi
Inchi = 1s / c21H21N3O6 / C25-11-17-118 (24-17-5-12-7-12-7-14-2-2- 7,10,16-11-26h, 8-9,11H2, (H, 22,27) (H ,2,28,28,28,28-, 17 + / m0 / s1
Iuchair Inchi
U udhoszawihgtb-rccfbdpdpH-n
3 ainmean eile airson an stuth seo
α - [(1-Naphthanylmynyl) Amino] - α -oxothymidine (ACI); (Napdu); 87: PN: W2020081510 Squid: 87 Seichnce air a ràdh
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 3.23 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 3.23 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 3.23 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 3.23 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 3.23 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 3.19 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.85 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.40 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Stòr suidheachadh luach seilbh |
| 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 Ph 6; Temp: 25 ° C (1) ACD |
| Koc 71.1 PhB 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 |
| log 0.97 Ph 1; Temp: 25 ° C (1) ACD |
| log 0.97 Ph 2; Temp: 25 ° C (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| 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 |
| Misneachd solbalileachd neo-ghnèitheach mòr | 5.3 X 10-3 G / L. | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.8 x 10-3 G / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.012 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.066 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.30 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.3 X 10-3 G / L. | Uisge Unbuffered PH 6.37; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 1.3 x 10-5 Mol / l | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-5 Mol / l | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-5 Mol / l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-5 Mol / l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-5 Mol / l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-5 Mol / l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.3 x 10-5 Mol / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.4 x 10-5 Mol / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.9 x 10-5 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.6 x 10-4 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 7.4 x 10-4 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 1.3 x 10-5 Mol / l | Uisge Unbuffered PH 6.37; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 411.41 | ||
| paka | 8.23 ± 0.10 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | -1.90 ± 0.20 | Temp as bunaitiche: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.460 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 281.6 ± 3.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 7 | (1) ACD | |
| Hrrairean | 9 | (1) ACD | |
| Hnors her | 4 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 13 | (1) ACD | |
| logp | 0.973 ± 0.586 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 411.41 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Stòr cumhachd |
| Raon uachdar pòla | 128 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1 h nmr
13 c nmr
