C38H37N3O8 bado haijapewa
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 663.72 | - |
Uzani (uliotabiriwa) | 1.304 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 8.27 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC = CC2) C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3
Tabasamu za Isomeric
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (NCC3 = CC = CC = C3) = O) C (= O) NC2 = O) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) CC = CC = CC = C6 CC = C = C6 C6 = C = C6)
Inchi
Inchi = 1S/C38H37N3O8/C1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-12-26,28-15-19-30 (47-2) 20-16-28) 48-24-33-32 (49-34 (49-34 (49-34) (49-31-31-31-31-34 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-22-25-9-5-6-10-25/H3-20,23,32-34,42h, 21-22,242,1-2h3, (H, 39,43) (H, 40,43) (H, 40,43).
, 33+, 34+/m0/s1
Ufunguo wa Inchi
Nzbgrvlzispurbr-lbfzijhgsa-n
Mali inapatikana |
Kibaolojia |
Mali inapatikana |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 5250 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 5250 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 5260 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 5260 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 5250 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 5200 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 4720 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2460 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 466 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 96.9 | pH 10; Temp: 25 ° c | (1) ACD |
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Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 16000 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 16000 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 16000 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 16000 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 16000 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 15800 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 14400 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 7510 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 1420 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 296 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 5.20 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 5.20 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 5.20 | pH 3; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
logi | 5.20 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 5.20 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 5.19 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 5.15 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 4.87 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 4.15 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 3.46 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 5.198 ± 0.644 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 9.3 x 10-6 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-6 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-6 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-6 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-6 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-6 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-6 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.1 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.0 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.1 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.1 x 10-5 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 1.4 x 10-8 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-8 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.0 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.7 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-8 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Uzito wa Masi | 663.72 | ||
PKA | 8.27 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | -1.66 ± 0.20 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
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Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.304 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 508.6 ± 3.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
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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 | 5.198 ± 0.644 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 663.72 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 136 A2 | (1) ACD |
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Spectra inapatikana
1H NMR
13C NMR