C33h39n5o6 l-ornithinamide, n - [(9h-fluoren-9-ylmethoxy) Carbonyl] -l-valyl-N5- (Aminocrenbonyl) -n- [4- (hydroxymethyl) phenyl] - (9ci, aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 601.69 | - |
Mangotraka (nambara) | 914.2 ± 65.0 ° C | Press: 760 Torr |
Fahalemena (nambara) | 1.276 ± 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 10.63 ± 0.46 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C (Occ1C = 2C = CC = CC2C = CC2C = CC = CC = CC31) NC (C CC31) NC (C CC31) NC (C CC31) NC (C (C (C (C (C = C (C (C
ISOMERIC SMILES C (OC (N [N [H] (C (N [N]
Inchi
Inchi = 1s / c33h39n5o6 / c1-20 (2) 29 (38-33 (44-19-27-25-10-5-3-8-23 (25) 24-9-4-01-25 (24) 27) 37-28 (12-7-17-35- 32 (34) 42) 30 (40) 36-22-15-13-22
5,42) / t28-, 29- / m0 / s1
Inchi Key
Dalmazhdnfcdrp-vmprefpwsa-n
1 anarana hafa ho an'ity akora ity
N - [(9h-fluoren-9-ylmethoxy) carbonyl] -l-valyl-N5- (Aminocarbonyl) -n- [4- (hydroxymethyl) phenyl] -l-ornithinamide (Aci)
Spectra misy
1H NMR
13c NMR
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 809 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 912 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 923 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 924 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 924 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 924 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 924 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 922 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 903 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 750 | 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 | 4040 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 4550 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 4610 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 4620 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 4620 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 4620 | PH 6; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 4620 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 4610 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 4510 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 3740 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 4.15 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 4.20 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 4.20 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 4.20 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 4.21 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 4.21 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 4.20 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 4.20 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 4.19 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 4.11 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 4.206 ± 0.767 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 1.7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.0 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.1 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-4 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 2.9 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.3 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 2.9 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 601.69 | ||
pka | 10.63 ± 0.46 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | 0.13 ± 0.50 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
Ny tsindry vapor | 0 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 | 1.276 ± 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 471.2 ± 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 | 15 | (1) ACD | |
H Mpanaja | 11 | (1) ACD | |
H mpamatsy vola | 7 | (1) ACD | |
H Donor / Accas Sum | 18 | (1) ACD | |
Logp | 4.206 ± 0.767 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 601.69 |
(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 | 172 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 | 914.2 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
Enthhalpy ny vaporization | 139.25 ± 3.0 KJ / Mol | Press: 760 Torr | (1) ACD |
Flash point | 506.7 ± 34.3 ° 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