![C21H23N3O5 L-Ornithin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI, ACI) Fremhævet billede](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI, ACI)
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 397,43 | - |
| Kogepunkt (forudsagt) | 671,5±55,0 °C | Tryk: 760 Torr |
| Densitet (forudsagt) | 1,316 ± 0,06 g/cm3 | Temperatur: 20 °C; Tryk: 760 Torr |
| pKa (forudsagt) | 3,84±0,21 | Mest sure temperatur: 25 °C |
Kanoniske SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomere SMILES 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-nøgle
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 andre navne for dette stof
N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithin (ACI); (2S)-5-(carbamoylamino)-2-(9H-fluoren-9-ylmethoxylcarbonylamino)pentansyre; (2S)-5-(carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentansyre; 218: PN: U S20070042401 SIDE: 29 angivet protein; 909: PN: WO2006135786 SIDE: 59 angivet protein; Fmoc-L-Citrullin
Tilgængelige spektre
1H-NMR
13C NMR
Masse
| Tilgængelige ejendomme |
| Biologisk |
| Kemisk |
| Tæthed |
| Lipinski |
| Strukturrelateret |
| Termisk |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 54,3 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 52,8 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 40,0 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 11.7 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1,45 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 10; Temperatur: 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; Temperatur: 25 °C | (1) ACD |
| Koc | 589 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 446 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 130 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 16.2 | pH 5; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 1,76 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 1.0 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 1.0 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 2,59 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 2,57 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 2,45 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 1,92 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 1.01 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 0,05 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | -0,76 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | -1,10 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | -1,15 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | -1,16 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 2,591±0,426 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 4,8 x 10-3 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,8 x 10-3 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 5,2 x 10-3 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 6,8 x 10-3 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,023 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,18 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,7 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 11 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 23 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 27 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 27 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,032 g/L | Ubufret vand pH 4,18; Temperatur: 25 °C | (1) ACD |
| Molær intrinsisk opløselighed | 1,2 x 10-5 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,2 x 10-5 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,3 x 10-5 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,7 x 10-5 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 5,7 x 10-5 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 4,6 x 10⁻⁴ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 4,2 x 10-3 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 0,027 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 0,059 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 0,067 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 0,068 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,0 x 10⁻⁶ mol/L | Ubufret vand pH 4,18; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 397,43 | ||
| pKa | 3,84±0,21 | Mest sure temperatur: 25 °C | (1) ACD |
| pKa | -0,21±0,70 | Mest grundlæggende temperatur: 25 °C | (1) ACD |
| Damptryk | 6,01 x 10⁻⁶ Torr | Temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tæthed
| Ejendom | Værdi | Tilstand | Kilde |
| Tæthed | 1,316 ± 0,06 g/cm3 | Temperatur: 20 °C; Tryk: 760 Torr | (1) ACD |
| Molært volumen | 301,8±3,0 cm3/mol | Temperatur: 20 °C; Tryk: 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 | Temperatur: 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: 760 Torr | (1) ACD |
| Fordampningens entalpi | 103,64 ± 3,0 kJ/mol | Tryk: 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)
Tilgængelige spektre
1H-NMR
13C NMR
Reguleringsliste: IECSC, TCSI, VNECI Fortrolige forretningsoplysninger: Offentlig
| Regulatoriske synonymer | ||
| Fmoc-L-2-amino-5-ureido-n-valerinsyre | IECSC | - |
| L-Ornithin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Detaljer efter land/internationalt og andre lister Land/region-oplysninger tilgængelige
Kina-oversigt
Lagerstatus på IECSC
Fortegnelse over eksisterende kemiske stoffer i Kina. Listede navne: Fmoc-L-2-amino-5-ureido-n-valerinsyre
Taiwan-oversigt
Lagerstatus på TCSI Taiwan Government Gazette
Vietnam-oversigt
Lagerstatus på VNECI
Vietnams udkast til national kemisk fortegnelse
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