C41H39No6 Acid 1-Pyrrolidinylboxylboxic, 2 - [[BIS FLOWY- ESTEMYL ESter, (2S, 4r) - (9 ci, ACI)
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 641.75 | - |
Puing goil (ro-innse) | 768.7 ± 60.0 ° C. | Brùth: 760 Torr |
Dùmhlachd (ro-innse) | 1.237 ± 0.06 G / CM3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 14.50 ± 00 | Temp as searbhagach: 25 ° C. |
Bidh gòrairean canonical o = c (occ1c = 2c = cc = cc2Coc = CC = cc = cc = cc = cc = cc = c (OC) C = cc) c = c7
Tha Isomeric a 'smileneachadh C (OC [C @] 1n (cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c
Inchi
Inchi = 1s / c4h39No6 / C4-45-33-20-16-29 (46-32 (43-32 (43) 25-42 (31) 40 ( 44) 47-27-39-37-14-8-6-12-35 (37-3-32,3-23 "24-23H2,3-2,2-2 "1-2H3 / 32 + S1
Iuchair Inchi
QpxskgjqebDwes-ajqTZAPHO-N.
2 ainm eile airson an stuth seo
Searbhag 1-pyrrolikycaboxylboxylboxley 9h-fluoren-9-YLMETHYL (2sg, 4r) -2 - [[BIS (4-Neach-obrach
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Thermal |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | 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 | 7.70 X 105 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 7.70 X 105 | Ph 10; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
logd | 8.29 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 8.29 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 8.289 ± 0.729 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 4.7 x 10-6 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 x 10-6 G / L | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 7.3 x 10-9 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 7.3 x 10-9 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 641.75 | ||
paka | 14.50 ± 00 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | -3.24 ± 0.60 | Temp as bunaitiche: 25 ° C. | (1) ACD |
Cuideam vapor | 7.42 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 | 1.237 ± 0.06 G / CM3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 518.4 ± 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 | 12 | (1) ACD | |
Hrrairean | 7 | (1) ACD | |
Hnors her | 1 | (1) ACD | |
H tabhartaiche / geurraiche suim | 8 | (1) ACD | |
logp | 8.289 ± 0.729 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 641.75 |
(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 | 77.5 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 | 768.7 ± 60.0 ° C. | Brùth: 760 Torr | (1) ACD |
Enthalpy of Vaporization | 117.42 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
Puing Flash | 418.7 ± 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