![C21H23N3O5 L-Wornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) carbonyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Wornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) carbonyl]-(9CI, ACI) Fremhævede billede](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Wornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) carbonyl]-(9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 397.43 | - |
| Kogepunkt (forudsagt) | 671,5 ± 55,0 ° C. | Tryk på: 760 Torr |
| Densitet (forudsagt) | 1.316 ± 0,06 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 3,84 ± 0,21 | Mest sure temp: 25 ° C |
Kanoniske smil O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) NC (C (= O) O) CCCNC (= O) N.
Isomere smil 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, 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 Key
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 andre navne på dette stof
N5- (aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-nornithin (ACI); (2s) -5- (carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) pentansyre; (2s) -5- (carbamoylamino) -2-([[(9H-fluoren-9-yl) methoxy] carbonyl] amino) pentansyre; 218: PN: U S20070042401 Side: 29 hævdede protein; 909: PN: WO2006135786 Side: 59 hævdede protein; FMOC-L-CITRULLINE
Spektre tilgængelige
1H NMR
13c NMR
Masse
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
| Termisk |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| 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) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Masse iboende opløselighed | 4,8 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 4,8 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 6,8 x 10-3 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,023 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,18 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 1,7 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 11 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 23 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 27 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 27 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,032 g/l | Ubuffet vand pH 4,18; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 1,2 x 10-5 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,2 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,3 x 10-5 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,7 x 10-5 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 5,7 x 10-5 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,6 x 10-4 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 4,2 x 10-3 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 0,027 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 0,059 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 0,067 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 0,068 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,0 x 10-5 mol/l | Ubuffet vand pH 4,18; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 397.43 | ||
| PKA | 3,84 ± 0,21 | Mest sure temp: 25 ° C | (1) ACD |
| PKA | -0,21 ± 0,70 | Mest basale temp: 25 ° C | (1) ACD |
| Damptryk | 6,01 x 10-19 torr | Temp: 25 ° C. | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Ejendom | Værdi | Tilstand | Kilde |
| Densitet | 1.316 ± 0,06 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 301,8 ± 3,0 cm3/mol | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 9 | (1) ACD | |
| H acceptorer | 8 | (1) ACD | |
| H donorer | 5 | (1) ACD | |
| H donor/acceptor sum | 13 | (1) ACD | |
| Logp | 2,591 ± 0,426 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 397.43 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 131 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Termisk
| Ejendom | Værdi | Tilstand | Kilde |
| Kogepunkt | 671,5 ± 55,0 ° C. | Tryk på: 760 Torr | (1) ACD |
| Entalpi af fordampning | 103,64 ± 3,0 kJ/mol | Tryk på: 760 Torr | (1) ACD |
| Flammepunkt | 359,9 ± 31,5 ° C. | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1H NMR
13c NMR
Reguleringsliste: IECSC, TCSI, VNECI Fortrolige forretningsoplysninger: Offentlig
| Regulerende synonymer | ||
| FMOC-L-2-amino-5-UREIDO-N-VALERISK Syre | IECSC | - |
| L-Wornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) carbonyl]- | TCSI, VNECI | - |
Detaljer efter land/internationale og andre lister Land/regionoplysninger tilgængelige
Kinas resume
Lagerstatus på IECSC
Beholdning af eksisterende kemiske stoffer i Kina Listede navn (er): FMOC-L-2-amino-5-UREIDO-N-VALERISK Syre
Taiwan -resume
Inventory status på TCSI Taiwan Government Gazette
Vietnam -resume
Lagerstatus på VNECI
Vietnam udkast til national kemisk lagerbeholdning
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