![C21H23N3O5 L-Ornithine, N5-(aminokarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)karbonyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithine, N5-(aminokarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)karbonyl]- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aminokarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)karbonyl]- (9CI, ACI)
| Key Physical Properties | Wearde | Betingst |
| Molekuul gewicht | 397.43 | - |
| Kookpunt (foarsein) | 671,5±55,0 °C | Druk: 760 Torr |
| Tichtheid (foarsein) | 1,316±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (foarsein) | 3,84±0,21 | Meast soere Temp: 25 °C |
Canonical 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 Key
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Oare nammen foar dizze stof
N5-(aminokarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)karbonyl]-L-ornithine (ACI);(2S)-5-(karbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)pentanoic acid;(2S)-5-(karbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]karbonyl]amino)pentaansûr;218: PN: U S20070042401 PAGE: 29 opeaske protein;909: PN: WO2006135786 PAGE: 59 opeaske protein;Fmoc-L-Citrulline
Spectra beskikber
1H NMR
13C NMR
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Tichtheid |
| Lipinski |
| Struktuer Related |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 54.3 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 52.8 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 40,0 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 11.7 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.45 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Mass Intrinsic Solubility | 4,8 x 10-3 g/L | Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 4,8 x 10-3 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 5,2 x 10-3 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 6,8 x 10-3 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,023 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,18 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 1,7 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 11 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 23 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 27 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 27 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massasolubiliteit | 0,032 g/L | Unbuffered wetter pH 4,18;Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,2 x 10-5 mol/l | Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,2 x 10-5 mol/l | pH 1;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,3 x 10-5 mol/l | pH 2;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 1,7 x 10-5 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 5,7 x 10-5 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 4,6 x 10-4 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 4,2 x 10-3 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,027 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,059 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,067 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 0,068 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre oplosberens | 8,0 x 10-5 mol/L | Unbuffered wetter pH 4,18;Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 397.43 | ||
| pKa | 3,84±0,21 | Meast soere Temp: 25 °C | (1) ACD |
| pKa | -0,21±0,70 | Meast Basic Temp: 25 °C | (1) ACD |
| Dampdruk | 6,01 x 10-19 Torr | Temp: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tichtheid
| Besit | Wearde | Betingst | Boarne |
| Tichtheid | 1,316±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molar Volume | 301,8±3,0 cm3/mol | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij draaibare obligaasjes | 9 | (1) ACD | |
| H Aksepteurs | 8 | (1) ACD | |
| H Donateurs | 5 | (1) ACD | |
| H Donor / Akseptor Sum | 13 | (1) ACD | |
| logP | 2.591±0.426 | Temp: 25 °C | (1) ACD |
| Molekuul gewicht | 397.43 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer Related
| Besit | Wearde | Betingst | Boarne |
| Polar Surface Area | 131 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Besit | Wearde | Betingst | Boarne |
| Kookpunt | 671,5±55,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpy fan ferdamping | 103,64±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flash Point | 359,9±31,5 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra beskikber
1H NMR
13C NMR
Regeljouwing List: IECSC, TCSI, VNECI fertroulike saaklike ynformaasje: Iepenbier
| Regeljouwing Synonimen | ||
| Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-Ornithine, N5-(aminokarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)karbonyl]- | TCSI, VNECI | - |
Details per Lân / Ynternasjonale & Oare Listen Lân- / Regio-ynformaasje beskikber
Sina Gearfetting
Ynventaris Status op IECSC
Ynventarisaasje fan besteande gemyske stoffen yn Sina Listed Name(s): Fmoc-L-2-amino-5-ureido-n-valeric acid
Taiwan Gearfetting
Ynventarisstatus op TCSI Taiwan Government Gazette
Fietnam Gearfetting
Ynventarisaasje Status op VNECI
Fietnam Draft National Chemical Inventory
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