C42H39N3O8 bado haijapewa
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 713.78 | - |
Uzani (uliotabiriwa) | 1.315 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 8.23 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1NC (= O) N (C = C1C (= O) NCC2 = CC = CC = 3C = CC = CC32) C4OC (COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (C)
Tabasamu za Isomeric
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (NCC = 3C4 = C (C = CC3) C = CC = C4) = O) C (= O) NC2 = O) (C5 = CC = C (OC) C = C5) (C6 = C (C6)
Inchi
Inchi = 1S/C42H39N3O8/C1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-5-13-29,31-17-21-33 (51-2) 22-18-31) 52-26-37-36) 23-38 (51-38 (51-38 (51-38 (51-38 (51-38 (51-38-38 (51-38-38 (51-38-38 (51-38 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 43-24-28-11-8-10-27-9-6-7-14-34 (27) 28/H3-22,25,36-38,46h, 23-24,26h2, h, h, h, 43, h, h3, h, h3, h, h3, h, h3, h, h3, h, h3, H (H, 44,48,49)/T36-, 37+, 38+/m0/s1
Ufunguo wa Inchi
Hdumrqqryjobfs-yxwiycfasa-n
Mali inapatikana |
Kibaolojia |
Mali inapatikana |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 41700 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 41700 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 41700 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 41700 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 41700 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 41200 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 36900 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 18100 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3290 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 718 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 70600 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 70600 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 70600 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 70600 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 70500 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 69700 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 62400 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 30600 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 5560 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 1210 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 6.38 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 6.38 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 6.38 | pH 3; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
logi | 6.38 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 6.38 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 6.38 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 6.33 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 6.02 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 5.28 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 4.62 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 6.382 ± 0.644 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 5.1 x 10-7 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-7 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-7 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-7 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-7 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-7 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-7 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.7 x 10-7 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.1 x 10-6 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.4 x 10-6 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.9 x 10-5 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.7 x 10-7 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 7.1 x 10-10 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.1 x 10-10 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.1 x 10-10 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.1 x 10-10 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.1 x 10-10 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.1 x 10-10 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.2 x 10-10 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.0 x 10-10 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-9 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 9.0 x 10-9 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.1 x 10-8 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.0 x 10-10 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Uzito wa Masi | 713.78 | ||
PKA | 8.23 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | -1.90 ± 0.20 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.315 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 542.7 ± 3.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 13 | (1) ACD | |
Wapokeaji | 11 | (1) ACD | |
H wafadhili | 3 | (1) ACD | |
H wafadhili/jumla ya jumla | 14 | (1) ACD | |
Logp | 6.382 ± 0.644 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 713.78 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 136 A2 | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR