C17H19N3O6 Thimidin, a -Oxo- a - [(fenalmetil) Amino] - (ACI)
Kasb registr raqami
944268-75-1
Asosiy jismoniy xususiyatlar | Qiymati | Shart |
Molekulyar og'irlik | 361,35 | - |
Zichlik (bashorat qilingan) | 1.459 ± 0,06 g / sm3 | Temp: 20 ° C; Matbuot: 760 tor |
PKA (bashorat qilingan) | 8.27 ± 0.10 | Aksariyat kislotali temp: 25 ° C |
Kanronilik tabassum
O = c1nc (= O) n (= O c1c ncc = 2c = ccc = cc2) c3oc (co) c3
Izomerik tabassumlar
O = c1n ([C @ H] (C C@@ h] (O) c = c (NCC3 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = ccc = cc = cc = c@ c3)
Kelini
Indi = 1s / C17H19N3O6 / C21-9-12 (16) 6-14 (16) 6-14 (16) 6-14 (20) 6-14 (20) 6-14 (20) 20-31-312-14,1222 H2, (h, 18,23) (H, 19,24,25) / T12-, 13 +, 14 + / M0 / S1
Inchi tugmachasi
Vbriaguexfmkm-bfhyxjosa-n
Ushbu modda uchun 3 boshqa ismlar
a -Oxo-a - [(fenalmetil) amininin (ACI); (BNDU); 7: pn: wo2020081510 Seqid: 7 ta da'vo qilingan ketma-ketlik
Xususiyatlar mavjud
Biologik
Kimyoviy
Zichlik
Litski
Tuzilishi bilan bog'liq
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Mulk qiymatining holati manbai |
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 |
16.4 pH 7; Temp: 25 ° C (1) ACD |
8.56 pH 8; Temp: 25 ° C (1) ACD |
1,62 pH 9; Temp: 25 ° C (1) ACD |
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 |
Mulk | Qiymati | Shart | Manba |
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 |
Ommaviy eriylik | 0,13 g / l | Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,13 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,13 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,13 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,13 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,13 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0.14 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,15 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0,29 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 1.5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 7.2 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 0.14 g / l | Benuqson suv pH 5.68; Temp: 25 ° C | (1) ACD |
Molyar ichidagi eriylik | 3.7 X 10-4 MO mol / l | Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.7 X 10-4 MO mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.7 X 10-4 MO mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.7 X 10-4 MO mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.7 X 10-4 MO mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.7 X 10-4 MO mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 3.8 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 4.2 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 8,0 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 4.2 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 0.020 Mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Molyar eriylik | 3.8 x 10-4 mol / l | Benuqson suv pH 5.68; Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 361,35 | ||
pka | 8.27 ± 0.10 | Aksariyat kislotali temp: 25 ° C | (1) ACD |
pka | -1.66 ± 0,20 | Eng asosiy temp: 25 ° C | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Mulk | Qiymati | Shart | Manba |
Zichlik | 1.459 ± 0,06 g / sm3 | Temp: 20 ° C; Matbuot: 760 tor | (1) ACD |
Molyar hajmi | 247.5 ± 3.0 sm3 / mol | Temp: 20 ° C; Matbuot: 760 tor | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Mulk | Qiymati | Shart | Manba |
Erkin aylanadigan aloqalar | 7 | (1) ACD | |
H maqolalari | 9 | (1) ACD | |
H donorlar | 4 | (1) ACD | |
H donor / qabul summasi | 13 | (1) ACD | |
logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 361,35 |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Mulk | Qiymati | Shart manbai |
Polar sirt maydoni | 128 A2 | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Spektr mavjud
1 h nmr
13 c nmr