C42H39N3O8 Bado Haijakabidhiwa
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 713.78 | - |
Msongamano (Uliotabiriwa) | 1.315±0.06 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 8.23±0.10 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kisheria 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(OC)C=C7)C(O)C4
Isomeric TABASAMU
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=CC=C(OC)C=C6)C 7=CC=CC=C7
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(46)23-38(53-37)4 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,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
Ufunguo wa InChi
HDUMRQQRYJOBFS-YXWIYCFSA-N
Mali zinazopatikana |
Kibiolojia |
Mali zinazopatikana |
Kemikali |
Msongamano |
Lipinski |
Kuhusiana na Muundo |
Kibiolojia
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 41700 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 41700 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 41700 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 41700 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 41700 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 41200 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 36900 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 18100 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3290 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 718 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
Mali | Thamani | Hali | Chanzo |
Koc | 70600 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 70600 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 70600 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 70600 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 70500 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 69700 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 62400 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 30600 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 5560 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 1210 | pH 10; Joto: 25 °C | (1) ACD |
logD | 6.38 | pH 1; Joto: 25 °C | (1) ACD |
logD | 6.38 | pH 2; Joto: 25 °C | (1) ACD |
logD | 6.38 | pH 3; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
logD | 6.38 | pH 4; Joto: 25 °C | (1) ACD |
logD | 6.38 | pH 5; Joto: 25 °C | (1) ACD |
logD | 6.38 | pH 6; Joto: 25 °C | (1) ACD |
logD | 6.33 | pH 7; Joto: 25 °C | (1) ACD |
logD | 6.02 | pH 8; Joto: 25 °C | (1) ACD |
logD | 5.28 | pH 9; Joto: 25 °C | (1) ACD |
logD | 4.62 | pH 10; Joto: 25 °C | (1) ACD |
logP | 6.382±0.644 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 5.1 x 10-7 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.1 x 10-7 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.1 x 10-7 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.1 x 10-7 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.1 x 10-7 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.1 x 10-7 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.1 x 10-7 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.7 x 10-7 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.1 x 10-6 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 6.4 x 10-6 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 2.9 x 10-5 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.7 x 10-7 g/L | Maji yasiyo na kikomo pH 7.00; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 7.1 x 10-10 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.1 x 10-10 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.1 x 10-10 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.1 x 10-10 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.1 x 10-10 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.1 x 10-10 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 7.2 x 10-10 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.0 x 10-10 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.6 x 10-9 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 9.0 x 10-9 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.1 x 10-8 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.0 x 10-10 mol/L | Maji yasiyo na kikomo pH 7.00; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Uzito wa Masi | 713.78 | ||
pKa | 8.23±0.10 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | -1.90±0.20 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
Mali | Thamani | Hali | Chanzo |
Msongamano | 1.315±0.06 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 542.7±3.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 13 | (1) ACD | |
H Wapokeaji | 11 | (1) ACD | |
H Wafadhili | 3 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 14 | (1) ACD | |
logP | 6.382±0.644 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 713.78 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Eneo la Uso wa Polar | 136 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR