C20H21No4 1-Pyrrolidinycaboxyrboxic, 4-hydroxy-2- ((Hydroxyl) - (9mh- Elmethyl Ester, (4r) - (9ci, ACI)
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 339.39 | - |
| Puing goil (ro-innse) | 549.8 ± 40.0 ° C. | Brùth: 760 Torr |
| Dùmhlachd (ro-innse) | 1.318 ± 0.06 G / CM3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 14.53 ± 00 | Temp as searbhagach: 25 ° C. |
A 'gàireachdainn canonical o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc = cc = cc31) N4CC (O) CC4CO
Tha Isomeric a 'smiles c (OC (= o) n1 [c @) (CC = CC = cc4) = cc3
Inchi
Inchi = 1s / c20h2111No4 / C22-11-13-9-11-7-2-7-2-4-8-8-8-8-8-113H, 9-12
H2 / T13-, 14 + / m0 / S1
Iuchair Inchi
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3 ainmean eile airson an stuth seo
Searbhag 1-Pyrrolikycaboxyrboxylboxylboxylboxic, 4-hydroxy-2- (Hydroxyl-2- (9h-fluoren-9-Ylmethyl Ester, (2sg-trans) - Zci); 9H-Fluoren-9-ylmethyl (2S, 4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate (ACI); (3r, 5s) -n-fmoc-3-hydypypyrrolidIN-5-mehanol
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar co-cheangailte |
| Thermal |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 49.6 | 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 | 569 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 569 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| logd | 2.53 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 2.53 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 2.534 ± 0.636 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 0.078 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.078 G / L | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 2.3 x 10-4 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.3 x 10-4 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 339.39 | ||
| paka | 14.53 ± 00 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | -3.10 ± 0.60 | Temp as bunaitiche: 25 ° C. | (1) ACD |
| Cuideam vapor | 6.35 x 10-13 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 | 1.318 ± 0.06 G / CM3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 257.3 ± 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 | 6 | (1) ACD | |
| Hrrairean | 5 | (1) ACD | |
| Hnors her | 2 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 7 | (1) ACD | |
| logp | 2.534 ± 0.636 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 339.39 |
(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 | 70.0 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 | 549.8 ± 40.0 ° C. | Brùth: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 87.32 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Puing Flash | 286.3 ± 27.3 ° 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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