![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) Umfanekiso obonakalayo](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)
| IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
| Ubunzima beMolekyuli | 641.75 | - |
| Indawo yokuBila (Kuqikelelwe) | 768.7±60.0 °C | Cinezela: 760 Torr |
| Ukuxinana (Kuqikelelwe) | 1.237±0.06 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
| pKa (Kuxelwe kwangaphambili) | 14.50±0.40 | Eyona Temp iAcidic Temp: 25 °C |
Uncumo lweCanonical 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 Uncumo 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
Isitshixo se-InchI
QPXSKGJQEBDWAS-AJQTZOPKSA-N
2 Amanye Amagama ale nto
I-1-Pyrrolidinecarboxylic acid, i-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)
| Iipropati ezikhoyo |
| Ibhayoloji |
| Ikhemikhali |
| Ukuxinana |
| Lipinski |
| Ulwakhiwo oluNxulumeneyo |
| Thermal |
Ibhayoloji
| Ipropati | Ixabiso | Imeko | Umthombo |
| I-Bioconcentration Factor | 1.00 x 106 | pH 1; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 2; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 3; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 4; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 5; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 6; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 7; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 8; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 9; Ubushushu: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 1.00 x 106 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
| Ipropati | Ixabiso | Imeko | Umthombo |
| Koc | 7.70 x 105 | pH 1; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 2; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 3; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 4; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 5; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 6; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 7; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 8; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 9; Ubushushu: 25 °C | (1) ACD |
| Koc | 7.70 x 105 | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| logD | 8.29 | pH 1; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 2; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 3; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 4; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 5; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 6; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 7; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 8; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 9; Ubushushu: 25 °C | (1) ACD |
| logD | 8.29 | pH 10; Ubushushu: 25 °C | (1) ACD |
| logP | 8.289±0.729 | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMass Intrinsic | 4.7 x 10-6 g/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kobuninzi | 4.7 x 10-6 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 7.3 x 10-9 mol/L | Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
| Ukunyibilika kweMolar | 7.3 x 10-9 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 641.75 | ||
| pKa | 14.50±0.40 | Eyona Temp iAcidic Temp: 25 °C | (1) ACD |
| pKa | -3.24±0.60 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
| Uxinzelelo lomphunga | 7.42 x 10-25 Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
| Ipropati | Ixabiso | Imeko | Umthombo |
| Ukuxinana | 1.237±0.06 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
| Umthamo weMolar | 518.4±3.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ipropati | Ixabiso | Imeko | Umthombo |
| Iibhondi eziGuquguqukayo ngokukhululekileyo | 12 | (1) ACD | |
| H Abamkeli | 7 | (1) ACD | |
| H Abaxhasi | 1 | (1) ACD | |
| H Umnikeli/uMamkeli Isambuku | 8 | (1) ACD | |
| logP | 8.289±0.729 | Ubushushu: 25 °C | (1) ACD |
| Ubunzima beMolekyuli | 641.75 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo oluNxulumeneyo
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yePolar Surface | 77.5 A2 | (1) ACD | |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ipropati | Ixabiso | Imeko | Umthombo |
| Indawo yokubilisa | 768.7±60.0 °C | Cinezela: 760 Torr | (1) ACD |
| I-Enthalpy yoMphunga | 117.42±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
| Indawo yokuflasha | 418.7±32.9 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- imethylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C53H66N7O8PSi CAS NO.: 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)