![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) Ihe onyonyo egosipụtara](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)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 641.75 | - |
| Ebe a na-esi esi esi (buru amụma) | 768.7±60.0 Celsius | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.237±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 14.50± 0.40 | Okpomọkụ kachasị acidic: 25 Celsius |
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=CC=C
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-,321+m0
Igodo InChi
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Aha ndị ọzọ maka ihe a
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)
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 7,70 x 105 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7,70 x 105 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 8.29 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.29 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 8.289± 0.729 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 4.7 x 10-6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-6 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 7.3 x 10-9 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.3 x 10-9 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 641.75 | ||
| pKa | 14.50± 0.40 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -3.24±0.60 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 7.42 x 10-25 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.237±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 518.4± 3.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 12 | (1) ACD | |
| H Ndị nnabata | 7 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 8 | (1) ACD | |
| logP | 8.289± 0.729 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 641.75 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 77.5 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 768.7±60.0 Celsius | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 117.42± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 418.7±32.9 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
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