![C21H23N3O5 L-ornitin, N5- (Aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) karbonyl]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C21H23N3O5 L-ornitin, N5- (Aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) karbonyl]-(9ci, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 397.43 | - |
| Kokpunkt (förutsagt) | 671,5 ± 55,0 ° C | Press: 760 Torr |
| Densitet (förutspådd) | 1,316 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 3,84 ± 0,21 | Mest sura temp: 25 ° C |
Kanoniska leenden o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc31) nc (c (= o) o) cccnc (= o) n
Isomeriska leenden C (oc (n [c @@ h] (cccnc (n) = o) c (o) = o) = o) c1c = 2c (c = 3c1 = cc = cc3) = cc = cc22
Tum
Tum = 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/H1-4,6-9,17-18-18H, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,22,23,27)/T18-/M0/S1
Inchi -nyckel
NbmsmzSrtiofok-sfhvurjksa-n
6 andra namn för detta ämne
N5- (Aminocarbonyl)-N2-[(9H-Fluoren-9-ylmethoxy) karbonyl] -l-ornitin (ACI); (2s) -5- (Carbamoylamino) -2- (9H-Fluoren-9-ylmethox ycarbonylamino) pentansyra; (2S) -5- (Carbamoylamino) -2-([(9H-Fluoren-9-yl) metoxi] karbonyl] amino) pentanoic acid; 218: PN: U S20070042401 Sida: 29 Påstått protein; 909: PN: WO2006135786 Sida: 59 Påstått protein; FMOC-l-bagine
Spektra tillgängligt
1H NMR
13C NMR
Massa
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
| Termisk |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 54.3 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 52.8 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 40.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 11.7 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.45 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| 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 |
| Egendom | Värde | Skick | Källa |
| 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 |
| inloggning | 2.591 ± 0,426 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 4,8 x 10-3 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,8 x 10-3 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5.2 x 10-3 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 6,8 x 10-3 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,023 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,18 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 11 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 23 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 27 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 27 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,032 g/L | Obuffrat vatten pH 4,18; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,2 x 10-5 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,2 x 10-5 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,3 x 10-5 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,7 x 10-5 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 5,7 x 10-5 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,6 x 10-4 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,2 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,027 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,059 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,067 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,068 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8,0 x 10-5 mol/l | Obuffrat vatten pH 4,18; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 397.43 | ||
| pka | 3,84 ± 0,21 | Mest sura temp: 25 ° C | (1) ACD |
| pka | -0,21 ± 0,70 | Mest grundläggande temp: 25 ° C | (1) ACD |
| Ångtryck | 6.01 x 10-19 Torr | Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,316 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 301,8 ± 3,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 9 | (1) ACD | |
| H acceptorer | 8 | (1) ACD | |
| H givare | 5 | (1) ACD | |
| H givare/acceptor summa | 13 | (1) ACD | |
| inloggning | 2.591 ± 0,426 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 397.43 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 131 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Termisk
| Egendom | Värde | Skick | Källa |
| Kokpunkt | 671,5 ± 55,0 ° C | Press: 760 Torr | (1) ACD |
| Entalpi av förångning | 103,64 ± 3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flashpoint | 359,9 ± 31,5 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
Regleringslista: IECSC, TCSI, VNEci konfidentiell affärsinformation: Offentlig
| Regleringssynonymer | ||
| FMOC-L-2-AMINO-5-URIDO-N-VALERIC | Iecsc | - |
| L-ornitin, N5- (Aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) karbonyl]- | TCSI, VNECI | - |
Detaljer efter land/internationella och andra listor av land/regioninformation tillgänglig
Kina sammanfattning
Lagerstatus på IECSC
Inventering av befintliga kemiska ämnen i Kina listade namn (er): FMOC-l-2-amino-5-ureido-n-valeric syra
Taiwan sammanfattning
Lagerstatus på TCSI Taiwan Government Gazette
Vietnamsammanfattning
Lagerstatus på VNEci
Vietnam Draft National Chemical Inventory
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