![C21H23N3O5 L-oorthine, N5- (aminocarbonyl) -n2-[(9H-fluoren-9-ylmethoxy) carbonyl]-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-ORHITHINE, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) carbonyl]-(9CI, ACI) Uitgelichte afbeelding](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-oorthine, N5- (aminocarbonyl) -n2-[(9H-fluoren-9-ylmethoxy) carbonyl]-(9ci, aci)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 397.43 | - |
| Kookpunt (voorspeld) | 671,5 ± 55,0 ° C | Press: 760 Torr |
| Dichtheid (voorspeld) | 1,316 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 3,84 ± 0,21 | Meest zure temperatuur: 25 ° C |
Canonical Smiles O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) O) CCCNC (= O) N
Isomere glimlach c (oc (n [c @@ h] (cccnc (n) = o) c (o) = o) = o) c1c = 2c (c = 3c1 = cc = cc3) = cc = cc2
Inchi
Inchi = 1S/C21H23N3O5/C22-20 (27) 23-11-5-10-18 (19 (25) 26) 24-21 (28) 29-12-17-15-8-3-1-6-13 (15) 14-7-2-4-9-16 (14) 17/H1-4,6-9,17-18h, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,22,23,27)/T18-/M0/S1
Inchi sleutel
Nbmsmzsrtiofok-sfhvurjksa-n
6 andere namen voor deze stof
N5- (Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-oorthine (ACI); (2S) -5- (Carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) pentanoïnezuur; (2S) -5- (Carbamoylamino) -2-([[(9H-fluoren-9-yl) methoxy] carbonyl] amino) pentaanzuur; 218: PN: U S20070042401 Pagina: 29 Claimed Protein; 909: PN: WO2006135786 Pagina: 59 Claimed Protein; FMOC-L-Citrulline
Spectra beschikbaar
1H NMR
13c NMR
Massa
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
| Thermisch |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 54.3 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 52.8 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 40.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 11.7 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.45 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Chemisch
| Eigendom | Waarde | Voorwaarde | Bron |
| 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 |
| Eigendom | Waarde | Voorwaarde | Bron |
| 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 |
| Massale intrinsieke oplosbaarheid | 4,8 x 10-3 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 4,8 x 10-3 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.2 x 10-3 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 6,8 x 10-3 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,023 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,18 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.7 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 11 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 23 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 27 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 27 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 0,032 g/l | Ongebufferde water pH 4.18; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 1.2 x 10-5 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.2 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,3 x 10-5 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.7 x 10-5 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 5,7 x 10-5 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,6 x 10-4 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4.2 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,027 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,059 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,067 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 0,068 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,0 x 10-5 mol/l | Ongebufferde water pH 4.18; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 397.43 | ||
| pka | 3,84 ± 0,21 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | -0,21 ± 0,70 | Meest basistemperatuur: 25 ° C | (1) ACD |
| Dampdruk | 6.01 x 10-19 TORR | Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Dikte
| Eigendom | Waarde | Voorwaarde | Bron |
| Dikte | 1,316 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 301,8 ± 3,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 9 | (1) ACD | |
| H ACCEPTORS | 8 | (1) ACD | |
| H Donoren | 5 | (1) ACD | |
| H Donor/Acceptor -som | 13 | (1) ACD | |
| logp | 2.591 ± 0,426 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 397.43 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 131 A2 | (1) ACD | |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Kookpunt | 671,5 ± 55,0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpie van verdamping | 103,64 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flitspunt | 359,9 ± 31,5 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1H NMR
13c NMR
REGULATIELIJK: IECSC, TCSI, VNECI Vertrouwelijke bedrijfsinformatie: openbaar
| Regelgevende synoniemen | ||
| FMOC-L-2-AMINO-5-AREIDO-N-VALERISCHE ZUUR | IECSC | - |
| L-ordithine, N5- (aminocarbonyl) -n2-[(9h-fluoren-9-ylmethoxy) carbonyl]- | Tcsi, vneci | - |
Details per land/internationale en andere lijsten Land-/regio -informatie beschikbaar
China samenvatting
Inventarisstatus op IECSC
Inventaris van bestaande chemische stoffen in China vermelde naam (en): FMOC-L-2-AMINO-5-EREIDO-N-VALERIC AUR
Taiwan Samenvatting
Voorraadstatus op TCSI Taiwan Government Gazette
Vietnam Samenvatting
Inventarisstatus op VNECI
Vietnam Draft National Chemical Inventory
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