![C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]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 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI) Setšoantšo se Hlahisitsoeng](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, ACI)
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 641.75 | - |
| Sebaka se belang (Se boletsoeng esale pele) | 768.7±60.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.237±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 14.50±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 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
Isomeric SMILES 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=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/s0/m
Senotlolo sa InChi
QPXSKGJQEBDWAS-AJQTZOPKSA-N
2 Mabitso a Mang a Ntho ena
1-Pyrrolidinecarboxylic acid, 2-[[bis (4-methoxyphenyl) phenylmethoxy]methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans) - (ZCI); 9H-Fluoren-9-ylmethyl (2S,4R) -2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl] -4-hydroxy-1-pyrrolidinecarboxylate (ACI)
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 1.00 x 106 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 7.70 x 105 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| logD | 8.29 | pH 1; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 4.7 x 10-6 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 4.7 x 10-6 g/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 7.3 x 10-9 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 641.75 | ||
| pKa | 14.50±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | -3.24±0,60 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 7.42 x 10-25 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.237±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 518.4±3.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 12 | (1) ACD | |
| H Ba amohelang | 7 | (1) ACD | |
| H Bafani | 1 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 8 | (1) ACD | |
| logP | 8.289±0.729 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 641.75 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 77.5 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 768.7±60.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 117.42±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 418.7±32.9 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
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