C38H49No7 1- Acaid PyrrolikedCagean, 2- [[BIS (4-OffiCy-Oxo-, 4r) - (ACI)
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 631.80 | - |
| Puing goil (ro-innse) | 779.4 ± 60.0 ° C. | Brùth: 760 Torr |
| Dùmhlachd (ro-innse) | 1.154 ± 0.06 G / CM3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 4.78 ± 0.10 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c (o) cccccccc (= o) n1cc (o) cc = cc = cc = c = cc = c = cc = c (OC) c = c4
Tha Isomeric a 'gàireachdainn c (OC [C @] 1n (cc = cc = c (Oc) = cc = cc = cc = cc = cc = c4
Inchi
Inchi = 1s / c38h49No7 / C1-44-34-222-18-21-32 (27-14-14-14-32-28-26-26-26 (32) 36 (41) 16-12-7-5-3-5-8-8-8-13-37 (42) 43 / H9-11-2,42,42,42-, 33 + / m0 / s1
Iuchair Inchi
Ceyltmdxadtbel-jhousysjsa-n
1 ainm eile airson an stuth seo
(2sg, 4r) -2 - [[[bis (4-modh-dogyphnyl) pheNylmoxy] searbhag (aci) (ACI)
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
| Thermal |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 2.46 x 105 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.46 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.42 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.11 X 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 92400 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 14000 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1510 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 192 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 58.6 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 45.3 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 2.52 x 105 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 2.51 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 2.47 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 2.16 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 94500 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 14300 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1550 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 196 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 59.9 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 46.3 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 7.40 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logd | 7.40 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.39 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.97 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.15 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 5.19 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.29 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.77 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.66 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.397 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 1.3 x 10-4 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 x 10-4 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 x 10-4 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 x 10-4 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.5 x 10-4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.5 x 10-4 G / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.3 X 10-3 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.021 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.17 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.55 g / l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.69 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.3 X 10-3 G / L. | Uisge neo-ainmichte pH 5.73; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 2.1 x 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.1 x 10-7 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.1 x 10-7 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.1 x 10-7 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.4 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 5.5 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 3.6 x 10-6 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 3.4 x 10-5 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.7 x 10-4 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 8.7 x 10-4 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 1.1 x 10-3 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.1 x 10-6 Mol / L. | Uisge neo-ainmichte pH 5.73; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 631.80 | ||
| paka | 4.78 ± 0.10 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | -2.31 ± 0.60 | Temp as bunaitiche: 25 ° C. | (1) ACD |
| Cuideam vapor | 1.42 x 10-25 Torr | Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Dùmhlachd
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.154 ± 0.06 G / CM3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 547.3 ± 3.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 20 | (1) ACD | |
| Hrrairean | 8 | (1) ACD | |
| Hnors her | 2 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 10 | (1) ACD | |
| logp | 7.397 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 631.80 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon uachdar pòla | 106 A2 | (1) ACD | |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Thermal
| Seilbh | Luach | Suidheachadh | Stòr |
| Point Point | 779.4 ± 60.0 ° C. | Brùth: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 118.97 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Puing Flash | 425.2 ± 32.9 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1h nmr
13c nmr
