C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-moja, 2-[bis (4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 9a-tetrahdro-hyyy-7-7-7-hyydydro-hyydy-hyydro-hyydro-hyydro-hyydro-hyylydro-hyylydro-hyylydro-hyylydro-hyyl-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyyl-7, (2R, 3R, 3AS, 9AR)- (9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 542.58 | - |
Kiwango cha kuchemsha (kilitabiriwa) | 692.9 ± 65.0 ° C. | Bonyeza: 760 Torr |
Uzani (uliotabiriwa) | 1.33 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 12.51 ± 0.60 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1N = C2OC3C (O) C (OC3N2C = C1C) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Isomeric Smiles C (OC [C@H] 1O [C @@] 2 ([C@] ([C @@ H] 1O) (OC = 3N2C = C (C) C (= O) N3) [H]) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (C)
Inchi
Inchi = 1S/C31H30N2O7/C1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-4-6-8-20,21-9-23 (36-23)
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34h, 18h2,1-3h3/t25-, 26-, 27+, 29-/m1/s1
Ufunguo wa Inchi
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Jina lingine kwa dutu hii
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Spectra inapatikana
1H NMR
13C NMR
Misa
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Mafuta |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 2800 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2800 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2790 | pH 10; Temp: 25 ° c | (1) ACD |
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Kemikali
Mali | Thamani | Hali | Chanzo |
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 |
Mali | Thamani | Hali | Chanzo |
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 |
logi | 4.84 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 4.84 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 4.839 ± 0.618 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.6 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-4 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 6.6 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.7 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 542.58 | ||
PKA | 12.51 ± 0.60 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | -4.38 ± 0.60 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
Shinikizo la mvuke | 3.73 x 10-20 Torr | Temp: 25 ° c | (1) ACD |
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Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.33 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 404.9 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
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Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 9 | (1) ACD | |
Wapokeaji | 9 | (1) ACD | |
H wafadhili | 1 | (1) ACD | |
H wafadhili/jumla ya jumla | 10 | (1) ACD | |
Logp | 4.839 ± 0.618 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 542.58 |
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Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 99.1 A2 | (1) ACD |
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Mafuta
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 692.9 ± 65.0 ° C. | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya mvuke | 106.61 ± 3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Flash | 372.8 ± 34.3 ° C. | (1) ACD |
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Spectra inapatikana
1H NMR
13C NMR
Andika ujumbe wako hapa na ututumie