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C21H23N3O5 L-Ornithin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- (9CI, ACI)
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 397,43 | - |
| Kachpunkt (virausgesot) | 671,5±55,0 °C | Press: 760 Torr |
| Dicht (virausgesot) | 1,316 ± 0,06 g/cm3 | Temperatur: 20 °C; Press: 760 Torr |
| pKa (virausgesot) | 3,84±0,21 | Déi meescht sauer Temperatur: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomeresch 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 Schlëssel
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Aner Nimm fir dës Substanz
N5-(Aminokarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithin (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentansäure; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentansäure; 218: PN: U S20070042401 SÄIT: 29 behaapt Protein; 909: PN: WO2006135786 PAGE: 59 behaapt Protein; Fmoc-L-Citrulline
Spektrum verfügbar
1H NMR
13C NMR
Mass
| Eegeschafte verfügbar |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Struktur Zesummenhang |
| Thermesch |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 54,3 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 52,8 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 40,0 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 11.7 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,45 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| 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 |
| Immobilie | Wäert | Zoustand | Quell |
| 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 |
| log D | 2,59 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 2,57 | pH 2; Temperatur: 25 °C | (1) ACD |
| log D | 2,45 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 1,92 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 1.01 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 0,05 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | -0,76 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | -1.10 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | -1.15 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | -1.16 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 2,591±0,426 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 4,8 x 10-3 g/l | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,8 x 10-3 g/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 5,2 x 10-3 g/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 6,8 x 10-3 g/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,023 g/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,18 g/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,7 g/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 11 g/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 23 g/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 27 g/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 27 g/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 0,032 g/l | Ongebuffert Waasser pH 4,18; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 1,2 x 10-5 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,2 x 10-5 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,3 x 10-5 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 1,7 x 10-5 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Solubilitéit | 5,7 x 10-5 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,6 x 10-4 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 4,2 x 10-3 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 0,027 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 0,059 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 0,067 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 0,068 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,0 x 10-5 mol/l | Ongebuffert Waasser pH 4,18; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 397,43 | ||
| pKa | 3,84±0,21 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
| pKa | -0,21±0,70 | Déi meescht Basistemperatur: 25 °C | (1) ACD |
| Damp Drock | 6,01 x 10-19 Torr | Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,316 ± 0,06 g/cm3 | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 301,8 ± 3,0 cm3/mol | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 9 | (1) ACD | |
| H Akzepter | 8 | (1) ACD | |
| H Donateuren | 5 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 13 | (1) ACD | |
| logP | 2,591±0,426 | Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 397,43 |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Polar Fläch Beräich | 131 A2 | (1) ACD | |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Kachpunkt | 671,5±55,0 °C | Press: 760 Torr | (1) ACD |
| Enthalpie vun der Verdampfung | 103,64±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 359,9 ± 31,5 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13C NMR
Reguléierungslëscht: IECSC, TCSI, VNECI Vertraulech Business Informatiounen: Ëffentlech
| Reguléierungssynonyme | ||
| Fmoc-L-2-Amino-5-ureido-n-valerinsäure | IECSC | - |
| L-Ornithin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Detailer no Land / International & Aner Lëschte Land / Regioun Informatioun verfügbar
China Resumé
Inventar Status op IECSC
Inventar vun existéierende chemesche Substanzen a China Listed Name(s): Fmoc-L-2-Amino-5-ureido-n-valeric acid
Taiwan Resumé
Inventar Status op TCSI Taiwan Regierung Gazette
Vietnam Resumé
Stamminventar Status op VNECI
Vietnam Entworf National Chemeschen Inventar
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