![C21H23N3O5 L-Ornitin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) karbonil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) karbonil]- (9CI, ACI) Gambar Unggulan](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornitin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) karbonil]- (9CI, ACI)
| Properti Fisik Kunci | Nilai | kahanan |
| Bobot Molekul | 397.43 | - |
| Titik didih (diprediksi) | 671,5±55,0 °C | Pencet: 760 Torr |
| Kapadhetan (Prediksi) | 1,316±0,06 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr |
| pKa (Prediksi) | 3,84±0,21 | Suhu Paling Asam: 25 °C |
SMILES Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomerik SMILES C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
IngChI
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
Kunci Inchi
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Jeneng Liyane kanggo Zat iki
N5-(Aminokarbonil)-N2-[(9H-fluoren-9-ylmethoxy)karbonil]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)asam pentanoat; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl) metoksi]karbonil]amino)asam pentanoat; 218: PN: U S20070042401 PAGE: 29 ngaku protein; 909: PN: WO2006135786 PAGE: 59 ngaku protein; Fmoc-L-Citrulline
Spectra kasedhiya
1H NMR
13C NMR
Massa
| Properti kasedhiya |
| biologi |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur Gegandhengan |
| Thermal |
biologi
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 54.3 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 52.8 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 40.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 11.7 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.45 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Properti | Nilai | kahanan | Sumber |
| Koc | 606 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 589 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 446 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 130 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 16.2 | pH 5; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Koc | 1.76 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 2.59 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 2.57 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 2.45 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 1.92 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 1.01 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 0.05 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -0.76 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -1.10 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -1.15 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.16 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 2,591±0,426 | Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Massa | 4,8 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,8 x 10-3 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 5,2 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 6,8 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,023 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,18 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,7 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 11 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 23 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 27 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 27 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,032 g/L | Banyu Unbuffered pH 4,18; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,2 x 10-5 mol/L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,2 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,3 x 10-5 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,7 x 10-5 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 5,7 x 10-5 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,6 x 10-4 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,2 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,027 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,059 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,067 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 0,068 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 8,0 x 10-5 mol/L | Banyu Unbuffered pH 4,18; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 397.43 | ||
| pKa | 3,84±0,21 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -0,21±0,70 | Suhu Paling Dasar: 25 °C | (1) ACD |
| Tekanan uap | 6,01 x 10-19 Torr | Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kapadhetan
| Properti | Nilai | kahanan | Sumber |
| Kapadhetan | 1,316±0,06 g/cm3 | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
| Volume Molar | 301,8±3,0 cm3/mol | Suhu: 20 °C; Pencet: 760 Torr | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 9 | (1) ACD | |
| H. Akseptor | 8 | (1) ACD | |
| H. Donor | 5 | (1) ACD | |
| H Jumlah Donor / Akseptor | 13 | (1) ACD | |
| logP | 2,591±0,426 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 397.43 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Area lumahing kutub | 131 A2 | (1) ACD | |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Properti | Nilai | kahanan | Sumber |
| Titik didih | 671,5±55,0 °C | Pencet: 760 Torr | (1) ACD |
| Entalpi Penguapan | 103,64±3,0 kJ/mol | Pencet: 760 Torr | (1) ACD |
| Titik Flash | 359,9±31,5 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1H NMR
13C NMR
Daftar Regulasi: IECSC, TCSI, VNECI Informasi Rahasia Bisnis: Umum
| Regulasi Sinonim | ||
| Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Rincian miturut Negara/Internasional & Dhaptar Liyane Negara/Wilayah Informasi Kasedhiya
China Ringkesan
Status Inventaris ing IECSC
Inventarisasi Bahan Kimia sing Ana ing China Jeneng Kadhaptar: Fmoc-L-2-amino-5-ureido-n-valeric acid
Ringkesan Taiwan
Status Inventaris ing TCSI Taiwan Government Gazette
Viet Nam Ringkesan
Status Persediaan ing VNECI
Vietnam Draft Inventarisasi Kimia Nasional
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