![C21H23N3O5 L-Ornitine, N5-(aminokarboniel)-N2-[(9H-fluoren-9-ylmetoksi)karboniel]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornitine, N5-(aminokarboniel)-N2-[(9H-fluoren-9-ylmetoksi) karboniel]- (9CI, ACI) Uitstalbeeld](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornitine, N5-(aminokarboniel)-N2-[(9H-fluoren-9-ylmetoksi)karboniel]- (9CI, ACI)
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 397,43 | - |
| Kookpunt (voorspel) | 671,5±55,0 °C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,316±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr |
| pKa (Voorspel) | 3,84±0,21 | Mees suur Temp: 25 °C |
Kanoniese SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomere GLIMLAG 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-sleutel
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Ander name vir hierdie stof
N5-(aminokarboniel)-N2-[(9H-fluoren-9-ielmetoksi)karboniel]-L-ornitien (ACI);(2S)-5-(Karbamoielamino)-2-(9H-fluoren-9-ielmetoksikarbonielamino)pentaansuur;(2S)-5-(Karbamoielamino)-2-([[(9H-fluoren-9-yl)metoksi]karboniel]amino)pentaansuur;218: PN: U S20070042401 BLADSY: 29 beweerde proteïen;909: PN: WO2006135786 BLADSY: 59 beweerde proteïen;Fmoc-L-Citrulline
Spektra beskikbaar
1H KMR
13C KMR
Mis
| Eiendomme beskikbaar |
| Biologiese |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 54,3 | pH 1;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 52,8 | pH 2;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 40,0 | pH 3;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 11.7 | pH 4;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1,45 | pH 5;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | pH 6;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | pH 7;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | pH 8;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | pH 9;Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | pH 10;Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| 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 |
| Eiendom | Waarde | Toestand | Bron |
| 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 |
| Massa Intrinsieke Oplosbaarheid | 4,8 x 10-3 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 4,8 x 10-3 g/L | pH 1;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,2 x 10-3 g/L | pH 2;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 6,8 x 10-3 g/L | pH 3;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,023 g/L | pH 4;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,18 g/L | pH 5;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 g/L | pH 6;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 11 g/L | pH 7;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 23 g/L | pH 8;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 27 g/L | pH 9;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 27 g/L | pH 10;Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,032 g/L | Ongebufferde water pH 4,18;Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 1,2 x 10-5 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,2 x 10-5 mol/L | pH 1;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,3 x 10-5 mol/L | pH 2;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,7 x 10-5 mol/L | pH 3;Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre Oplosbaarheid | 5,7 x 10-5 mol/L | pH 4;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 4,6 x 10-4 mol/L | pH 5;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 4,2 x 10-3 mol/L | pH 6;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 0,027 mol/L | pH 7;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 0,059 mol/L | pH 8;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 0,067 mol/L | pH 9;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 0,068 mol/L | pH 10;Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 8,0 x 10-5 mol/L | Ongebufferde water pH 4,18;Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 397,43 | ||
| pKa | 3,84±0,21 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | -0,21±0,70 | Mees Basiese Temp: 25 °C | (1) ACD |
| Dampdruk | 6,01 x 10-19 Torr | Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,316±0,06 g/cm3 | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
| Molêre volume | 301,8±3,0 cm3/mol | Temp: 20 °C;Druk: 760 Torr | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 9 | (1) ACD | |
| H Aanvaarders | 8 | (1) ACD | |
| H Skenkers | 5 | (1) ACD | |
| H Skenker/Aanvaarder Som | 13 | (1) ACD | |
| logP | 2,591±0,426 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 397,43 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 131 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 671,5±55,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 103,64±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 359,9±31,5 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
Regulerende Lys: IECSC, TCSI, VNECI Vertroulike Besigheidsinligting: Publiek
| Regulerende sinonieme | ||
| Fmoc-L-2-amino-5-ureido-n-valerianesuur | IECSC | - |
| L-Ornitine, N5-(aminokarboniel)-N2-[(9H-fluoren-9-ielmetoksi)karboniel]- | TCSI, VNECI | - |
Besonderhede volgens land/internasionale en ander lyste Land/streek-inligting beskikbaar
China Opsomming
Voorraadstatus op IECSC
Inventaris van bestaande chemiese stowwe in China Gelyste name: Fmoc-L-2-amino-5-ureido-n-valerianesuur
Taiwan Opsomming
Inventarisstatus op TCSI Taiwan Staatskoerant
Viëtnam Opsomming
Voorraadstatus op VNECI
Vietnam Konsep Nasionale Chemiese Inventaris
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