![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) Ata Fa'aalia](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)
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 641.75 | - |
| Fa'apuna (Va'ai) | 768.7±60.0 °C | Lomitusi: 760 Torr |
| To'atele (Va'ai) | 1.237±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 14.50±0.40 | Le Tele o le Asi Sua: 25 °C |
O'O'ITA'I Canonical 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=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 Ki
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Isi Igoa mo lea Mea
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)
| Meatotino avanoa |
| Biological |
| Kemisi |
| Malosi |
| Lipinski |
| Fauga Faatatau |
| Mafanafana |
Biological
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 1.00 x 106 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.00 x 106 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Kemisi
| Meatotino | Taua | Tulaga | Punavai |
| Koc | 7.70 x 105 | pH 1; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Maalili: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| ogalaauD | 8.29 | pH 1; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 2; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | 8.29 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 4.7 x 10-6 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 4.7 x 10-6 g/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 7.3 x 10-9 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 7.3 x 10-9 mol/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 641.75 | ||
| pKa | 14.50±0.40 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
| Omiga ausa | 7.42 x 10-25 Torr | Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Malosi
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.237±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 518.4±3.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 12 | (1) ACD | |
| H Tagata talia | 7 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 8 | (1) ACD | |
| logP | 8.289±0.729 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 641.75 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Polar Surface Area | 77.5 A2 | (1) ACD | |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Mafanafana
| Meatotino | Taua | Tulaga | Punavai |
| Fa'apuna | 768.7±60.0 °C | Lomitusi: 760 Torr | (1) ACD |
| Entalpy o le Ausa | 117.42±3.0 kJ/mol | Lomitusi: 760 Torr | (1) ACD |
| Mata'imu | 418.7±32.9 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1H NMR
13C NMR
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![C53H66N7O8PSi NO. CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)