![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)
Nomer Registri CAS
944268-75-1
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 361.35 | - |
| Kapadhetan (diprediksi) | 1.459 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 8.27 ± 0.10 | Temp paling asam: 25 ° C |
Mesem kanonik
O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc = cc3c (co) c (o) c3
Mesem isomerat
O = C1N ([C @@ h] 2o [C @ H] (C (NCC = C3) = c (= O) c (= o) n1
INCI
Kopi = 1s / c17h19N3O6 / C21-9-13-12 / C21-9-13-12 / 22-14 (26-13-11 (20 (23) 18-17 (23) 25-17-10 /-,12,21-12) H2, (H, 18,23) (H, 19,24,25) / T12-, 13 +, 14 + / M0 / S1
Kunci inci
Vbryagcuexfmkm-bfhyxjousa-n
3 jeneng liya kanggo zat iki
α -Oxo-α - [(Phenylmethyl) Amino] Thymidin (ACI); (Bndu); 7: PN: WO2020081515 SEQID: 7 urutan sing ngaku
Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Sumber kondhisi properti |
| 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 |
| Properti | Regane | Kondisi | Sumber |
| logd | -0.21 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.21 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.21 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.22 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.26 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.54 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -1.26 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.95 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 0.13 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.13 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.13 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.13 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.13 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.13 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.14 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.15 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.29 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1,5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 7,2 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.14 g / l | Banyu banyu sing ora dibedakake 5.68; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 3.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.7 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.8 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.2 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 8.0 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.2 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 0,020 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 3.8 x 10-4 mol / l | Banyu banyu sing ora dibedakake 5.68; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 361.35 | ||
| PKA | 8.27 ± 0.10 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -1.66 ± 0,20 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Properti | Regane | Kondisi | Sumber |
| Kapadhetan | 1.459 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 247.5 ± 3.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 7 | (1) ACD | |
| H Nampa | 9 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor / Sumrah Panampa | 13 | (1) ACD | |
| logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 361.35 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Properti | Regane | Sumber kahanan |
| Area permukaan polar | 128 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1 h nmr
13 c nmr
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