![C21H21N3O6 Thymidin, α - [(1-naphthalenylmethyl) amino] - α -oxo- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) Amino] - α -Oxo- Gambar (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine.png)
C21H21N3O6 Thymidin, α - [(1-naphthalenylmethyl) amino] - α -oxo- (ACI)
Nomer Registri CAS
1262015-90-6
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 411.41 | - |
| Kapadhetan (diprediksi) | 1,460 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 8.23 ± 0.10 | Temp paling asam: 25 ° C |
Mesem kanonik
O = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = cc = cc = cc = cc32) c4oc (o) c4
Mesem isomerat
O = c1n (c = c (c (ncc = 2c3 = c (c = cc (c = c4) = c @ o) [c @@_ h] (o) c4
INCI
InChI= 1S/C21H21N3O6/c25-11-17-16(26)8-18(30-17)24-10-15(20(28)23-21(24)29)19(27)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1- 7,10,16-18,25-26h, 8-9,11h2, (h, 22,27) (h, 23,28,29) / t16-, 17 +, 18 + / m0 / s1
Kunci inci
Uudhoszawihgtb-rccfbdprsa-n
3 jeneng liya kanggo zat iki
α - (1-naphthalenylmethyl) Amino] - α -oxothymidine (ACI); (Napdu); 87: PN: WO202008151510 SEQID: 87 sing ngaku urutan
Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 3.23 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3.23 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3.23 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3.23 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3.23 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 3.19 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2.85 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.40 | 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 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 6; Temp: 25 ° C (1) ACD |
| KOC 71.1 PH 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 |
| Logd 0.97 PH 1; Temp: 25 ° C (1) ACD |
| Logd 0.97 PH 2; Temp: 25 ° C (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| 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 |
| Kelarutan Kelainan Intrinsik Massa | 5.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.8 x 10-3 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,012 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,066 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0,30 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.3 x 10-3 g / l | Banyu banyu sing ora dibayar 6.37; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1.3 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-5 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.3 x 10-5 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-5 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.9 x 10-5 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.4 x 10-4 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 1.3 x 10-5 mol / l | Banyu banyu sing ora dibayar 6.37; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 411.41 | ||
| PKA | 8.23 ± 0.10 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -1.90 ± 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 | 1,460 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 281.6 ± 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 | 0.973 ± 0,586 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 411.41 |
(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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