![C41H39NO6 Aċidu 1-Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylm etoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 Aċidu 1-Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylm etoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI) Dehru Image](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 Aċidu 1-Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylm etoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Proprjetajiet Fiżiċi Ewlenin | Valur | Kundizzjoni |
| Piż Molekulari | 641.75 | - |
| Punt tat-Togħlija (Imbassar) | 768.7±60.0 °C | Press: 760 Torr |
| Densità (Imbassar) | 1.237±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr |
| pKa (Imbassar) | 14.50±0.40 | L-aktar Temp Aċidiku: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC =C(OC)C=C7
Tbissim iżomeriċi C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC= C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5- 11-28,30-18-22-34(46-2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H, 24-27H2,1-2H3/t31-,32+/m0/s1
InChI Key
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Ismijiet Oħra għal din is-Sustanza
Aċidu 1-Pyrrolidinecarboxylic, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI); 9H-Fluoren-9-ilmetil (2S,4R)-2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Proprjetajiet disponibbli |
| Bijoloġiċi |
| Kimika |
| Densità |
| Lipinski |
| Struttura Relatati |
| Termali |
Bijoloġiċi
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 1; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 2; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 3; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 4; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 5; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 6; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 7; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 8; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 9; Temp: 25 °C | (1) ACD |
| Fattur tal-Bijokonċentrazzjoni | 1.00 x 106 | pH 10; Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| 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 |
| Proprjetà | Valur | Kundizzjoni | Sors |
| 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 |
| Solubilità Intrinsika tal-Massa | 4.7 x 10-6 g/L | Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità tal-Massa | 4.7 x 10-6 g/L | Ilma mhux buffered pH 7.00; Temp: 25 °C | (1) ACD |
| Solubilità Intrinsika Molari | 7.3 x 10-9 mol/L | Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Solubilità Molari | 7.3 x 10-9 mol/L | Ilma mhux buffered pH 7.00; Temp: 25 °C | (1) ACD |
| Piż Molekulari | 641.75 | ||
| pKa | 14.50±0.40 | L-aktar Temp Aċidiku: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | L-aktar Temperatura Bażika: 25 °C | (1) ACD |
| Pressjoni tal-Fwar | 7.42 x 10-25 Torr | Temp: 25 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.237±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr | (1) ACD |
| Volum Molari | 518.4±3.0 cm3/mol | Temp: 20 °C; Press: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li Jduru liberament | 12 | (1) ACD | |
| H Aċċettaturi | 7 | (1) ACD | |
| H Donaturi | 1 | (1) ACD | |
| H Somma tad-Donatur/Aċċettatur | 8 | (1) ACD | |
| logP | 8.289±0.729 | Temp: 25 °C | (1) ACD |
| Piż Molekulari | 641.75 |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struttura Relatati
| Proprjetà | Valur | Kundizzjoni | Sors |
| Żona tal-wiċċ Polari | 77.5 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 768.7±60.0 °C | Press: 760 Torr | (1) ACD |
| Entalpija ta' Vaporizzazzjoni | 117.42±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 418.7±32.9 °C | (1) ACD |
(1) Ikkalkulat bl-użu ta' Software għall-Iżvilupp Avvanzat tal-Kimika (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spettri disponibbli
1H NMR
13C NMR
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