C31H30NIM2O7 6H-Furo [2 ', 3': 4-neach-tomhais (2-neach-pàighidh (2R, 3R, 3A, 9AS) - (9ci, ACI)
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 542.58 | - |
| Puing goil (ro-innse) | 692.9 ± 65.0 ° C. | Brùth: 760 Torr |
| Dùmhlachd (ro-innse) | 1.33 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 12.51 ± 0.60 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c1oc3c (o) C (OC3N2C = CC = CC = C (OC = C (OC = C (OC) C = c6
Isomic a 'smileneachadh C (OC [C @] 1o [c @@] (CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = c6
Inchi
Inchi = 1s / c31h30n2o7 / c1-19-17-29-29 (33-5-5-8-5-8-5-8-5-8-5-8-2-23 (36-21
) 22-11-15-24 (37-24) 16-12-22 / H4-17-27,34H3 / T25-, 26- + M1 / S1
Iuchair Inchi
BqEqceznlikssh-cithkvlsssa-n
1 ainm eile airson an stuth seo
(2R, 3R, 3A, 9AS, 7A) -2 - [[BIS, WYDUYL-3H-Tetrylien-6-A] PyrimIn-6-One (ACI)
Spectra ri fhaighinn
1h nmr
13c nmr
Maise
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
| Thermal |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 2800 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2800 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2790 | 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 | 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 |
| Seilbh | Luach | Suidheachadh | Stòr |
| 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 |
| logd | 4.84 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.84 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.839 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 3.6 x 10-4 G / L. | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.6 x 10-4 G / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 6.6 x 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.7 x 10-7 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 6.6 x 10-7 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 542.58 | ||
| paka | 12.51 ± 0.60 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | -4.38 ± 0.60 | Temp as bunaitiche: 25 ° C. | (1) ACD |
| Cuideam vapor | 3.73 X 10-20 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 | 1.33 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 404.9 ± 7.0 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 | 9 | (1) ACD | |
| Hrrairean | 9 | (1) ACD | |
| Hnors her | 1 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 10 | (1) ACD | |
| logp | 4.839 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 542.58 |
(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 | 99.1 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 | 692.9 ± 65.0 ° C. | Brùth: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 106.61 ± 3.0 KJ / MOL | Brùth: 760 Torr | (1) ACD |
| Puing Flash | 372.8 ± 3 3 34.3 ° 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
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