C31h30n2o7 6h-furo [2 ', 3', 3 ': 4,5] Pirimidin-6 --2,3,3a, 9a-tetrarro-3-gidrokry-7- mediok - (2R, 3R, 3R, 9AR) - (9ci, Aci)
Asosiy jismoniy xususiyatlar | Qiymati | Shart |
Molekulyar og'irlik | 542.58 | - |
Qaynab turgan nuqta (bashorat qilingan) | 692.9 ± 65,0 ° C | Matbuot: 760 tor |
Zichlik (bashorat qilingan) | 1.33 ± 0 g / sm3 | Temp: 20 ° C; Matbuot: 760 tor |
PKA (bashorat qilingan) | 12.51 ± 0,60 | Aksariyat kislotali temp: 25 ° C |
Canonik tabassum o = c1n = c2oc3c (OC3N2C = CC4) COC (C5 = CC = C1C) c6 = CC = C6 C = C6
Izemerik tabassumlar c (OC [C @@ @@ @@ @@ @@ cc = c (c) c4) (C4 = CC = C4) c6 = cc = c4 cc = c6
Kelini
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26(34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
) 22-11-15-2-224 (37-22 / H4-17,25-57,24,34,34,34h, 18h2,1-3h3 / 2, 26-, 26- / s1
Inchi tugmachasi
BqeqceZnlikssh-citkvlssa-n
1 Ushbu modda uchun boshqa ism
(2R, 3R, 3A, 9AR) -2 - [Bis (4-metvophenil) fenilmetroxy] - 9.a-tetrapenil-3-gidroksy-6,5] Pirimidin-6-biri
Spektr mavjud
1H nmr
NMR nmr
Massa
Xususiyatlar mavjud |
Biologik |
Kimyoviy |
Zichlik |
Litski |
Tuzilishi bilan bog'liq |
Issiqlik |
Biologik
Mulk | Qiymati | Shart | Manba |
Bioconterstratsion omil | 2800 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | PH 2; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | pH 3; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | pH 6; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | PH 7; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2800 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconterstratsion omil | 2790 | 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
Kimyoviy
Mulk | Qiymati | Shart | Manba |
Koc | 10200 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 10200 | pH 3; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 5; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Koc | 10200 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 10200 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 4.84 | pH 3; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 4.84 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 7; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 4.84 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
Ommaviy eriylik | 3.6 X 10-4 g / l | Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Ommaviy eruvchanlik | 3.6 X 10-4 g / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molyar ichidagi eriylik | 6.6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Mulk | Qiymati | Shart | Manba |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molyar eriylik | 6.6 x 10-7 mol / l | Neytral suv pH 7.00; Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 542.58 | ||
pka | 12.51 ± 0,60 | Aksariyat kislotali temp: 25 ° C | (1) ACD |
pka | -4.38 ± 0,60 | Eng asosiy temp: 25 ° C | (1) ACD |
Bug 'bosimi | 3.73 x 10-20 tor | Temp: 25 ° C | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Zichlik
Mulk | Qiymati | Shart | Manba |
Zichlik | 1.33 ± 0 g / sm3 | Temp: 20 ° C; Matbuot: 760 tor | (1) ACD |
Molyar hajmi | 404.9 ± 7.0 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
Litski
Mulk | Qiymati | Shart | Manba |
Erkin aylanadigan aloqalar | 9 | (1) ACD | |
H maqolalari | 9 | (1) ACD | |
H donorlar | 1 | (1) ACD | |
H donor / qabul summasi | 10 | (1) ACD | |
logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
Molekulyar og'irlik | 542.58 |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Tuzilishi bilan bog'liq
Mulk | Qiymati | Shart | Manba |
Polar sirt maydoni | 99.1 A2 | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Issiqlik
Mulk | Qiymati | Shart | Manba |
Qaynab turgan nuqta | 692.9 ± 65,0 ° C | Matbuot: 760 tor | (1) ACD |
Bug'lanishning boshi | 106.61 ± 3.0 kj / mol | Matbuot: 760 tor | (1) ACD |
O't olish nuqtasi | 372,8 ± 34,3 ° C | (1) ACD |
(1) Ilg'or kimyoviy rivojlanish (ACD / Labs) yordamida hisoblab chiqilgan V11.02 (© 1994-2023 ACD / Labs) yordamida hisoblab chiqilgan
Spektr mavjud
1H nmr
NMR nmr