C21H23N3o5 L-Ornithine, N5- (Aminocarbonyl) -N2 - [(9h-fluoren-9-ylmethoxy) carbonyl] - (9ci, aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 397.43 | - |
Mangotraka (nambara) | 671.5 ± 55.0 ° C | Press: 760 Torr |
Fahalemena (nambara) | 1.316 ± 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 3.84 ± 0.21 | Ankamaroan'ny temps temp: 25 ° C |
Kanonical smiles o = c (occ1c = 2c = CC = CC2C = 3C = CC = CC = CC31) NC (C CC31) NC (C CC31) NC (C CC31) NC (C CC21) NC (C CC31) NC (C CC31) NC (C CC31) NC (C
Isomeric Smiles C (OC (N [H [CCCNC (N) = O) C (O) = O) = O) C1C = 2C (C = 3c1 = CC = CC3) = CC = CC = CC = CC2
Inchi
Inchi = 1s / c21H23N3o5 / C22-20 (27) 23-11-5-10-18 (19 (25) 26) 24-21 (28) 29-16-17-15-8-3-1-6-13-9-16 (14-7-2-4-9-16 (14) 17 / H1-4,6-9,17-18h, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,2223234,27) / t18- / M0 / S1
Inchi Key
Nbmsmzsrtiofok-sfhvurjksa-n
6 anarana hafa ho an'ity zavatra ity
N5- (aminocarbonyl) -N2 - [(9H-fluoren-9-ylmethoxy) carbonyl] -l-ornithine (aci); (2s) -5- (carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) asidra pentanoic; (2s) -5- (carbamoylamino) -2 - ([[9H-fluoren-9-yl) metaly] carbonyl] amin) asid pentanoic; 218: PN: U S20070042401 Pejy: 29 dia nanambara proteinina; 909: PN: wo2006135786 Pejy: 59 dia nanambara proteinina; Fmoc-l-citrulline
Spectra misy
1H NMR
13c NMR
-bahoaka
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 54.3 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 52.8 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 40.0 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 11.7 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.45 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | 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 | 606 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 589 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 446 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 130 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 16.2 | PH 5; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1.76 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 2.59 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 2.57 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 2.45 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 1.92 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 1.01 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 0.05 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | -0.76 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | -1.10 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | -1.15 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | -1.16 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 2.591 ± 0.426 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 4.8 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.8 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.2 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 6.8 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.023 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.18 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 11 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 23 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 27 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 27 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.032 g / l | Rano ph 4.18; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.2 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.2 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.7 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 5.7 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.6 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.2 x 10-3 Mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 0,027 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 0.059 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 0.067 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 0,068 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 8.0 x 10-5 mol / l | Rano ph 4.18; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 397.43 | ||
pka | 3.84 ± 0.21 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | -0.21 ± 0.70 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
Ny tsindry vapor | 6.01 x 10-19 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 | 1.316 ± 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 301.8 ± 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 | 9 | (1) ACD | |
H Mpanaja | 8 | (1) ACD | |
H mpamatsy vola | 5 | (1) ACD | |
H Donor / Accas Sum | 13 | (1) ACD | |
Logp | 2.591 ± 0.426 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 397.43 |
(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 | 131 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 | 671.5 ± 55.0 ° C | Press: 760 Torr | (1) ACD |
Enthhalpy ny vaporization | 103.64 ± 3.0 kj / mol | Press: 760 Torr | (1) ACD |
Flash point | 359.9 ± 31.5 ° 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
Lisitry ny fifehezana: IECSC, TCSI, VNECI ny fampahalalana momba ny asa soa
Sady mitovy hevitra | ||
FMOC-L-2-amino-5-ureido-n-Valeric asidra | Iecsc | - |
L-ornithine, n5- (amancarbonyl) -n2 - [(9h-fluoren-9-ylmethoxy) carbonyl] - | TCSI, VNECI | - |
Ny antsipiriany avy amin'ny firenena / International & Lists Firenena / Firenena misy ao amin'ny faritra misy
Summary China
Toeram-pitokisana amin'ny IECSC
Ny famolavolana zavatra simika efa misy ao Shina dia voatanisa anarana: FMOC-L-2-AMINO-5-UREIDO-N-Valeric Acid
Taiwan Famintinana
Toerana fitokanana ao amin'ny Gazety governemanta Tcsi Taiwan
Viet nam Summary
Toerana fanoratana ao amin'ny Vneci
Vietnam Draft National Inventory simika