C41H39NO6 ACID, 2 - [[BIS (4-metoxhenyl) Methylm] Methyl] -4-hydroxy-, 9h-fluoren-9-yh-fluoren-9-yh-fluoren-9-
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 641.75 | - |
Mangotraka (nambara) | 768.7 ± 60.0 ° C | Press: 760 Torr |
Fahalemena (nambara) | 1.237 ± 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 14.50 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C (Occ1c = 2C = CC = CC2C = 3C = CC = CC31) N4CM (C = 5C = CC = C (OC) C = C6) C (OC = C (OC = C (OC = 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 (28-10-4-3-5-11-28,30-18-22-38,30-18-22-38 (46-2) 23-19-30) 48-26-31-20) 48-26-31-25 (43) 25-42 (31-42 (31-42 (31) 44) 47-27-37-37-14-8-6-12-35 (37) 36-13-7-9-15-38 (36) 39 / H3-23,31-32,39,43H, 24-273h, 24-27H2,123 / T31-, 32 + / M0 / S1
Inchi Key
Qpxskgjqebdwes-ajqtzopksa-n
2 anarana hafa ho an'ity akora ity
1-pyrrolididinecarboxic asidra, 2 - [[bis (4-metyphenyl) phenylmethoxy] methyl] -4-hydroxy-, 9h-fluoren-9-yh-fluoren-9-yh-flmethyl ester, (2s-trans) - (ZCI); 9h-fluoren-9-ylmethyl (2s, 4r) -2 - [[bis (4-metoxlyphyl) phenylmethenchoxy] methyl] -4l] -4-hydroxy-1-pyrolidinecarboxylate (aci)
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
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 |
NY FANANANA | sarobidy | toe-javatra | Source |
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 |
Solondrailala an-tsokosoko | 4.7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.7 x 10-6 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 7.3 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 7.3 x 10-9 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.3 x 10-9 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 641.75 | ||
pka | 14.50 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | -3.24 ± 0.60 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
Ny tsindry vapor | 7.42 x 10-25 TORR | Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.237 ± 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 518.4 ± 3.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 12 | (1) ACD | |
H Mpanaja | 7 | (1) ACD | |
H mpamatsy vola | 1 | (1) ACD | |
H Donor / Accas Sum | 8 | (1) ACD | |
Logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 641.75 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 77.5 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Mangotraka | 768.7 ± 60.0 ° C | Press: 760 Torr | (1) ACD |
Enthhalpy ny vaporization | 117.42 ± 3.0 KJ / Mol | Press: 760 Torr | (1) ACD |
Flash point | 418.7 ± 32,9 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR