![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-Ornitin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) karbonil]- (9CI, ACI) Imej Pilihan](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornitin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) karbonil]- (9CI, ACI)
| Sifat Fizikal Utama | Nilai | keadaan |
| Berat Molekul | 397.43 | - |
| Takat Didih (Diramalkan) | 671.5±55.0 °C | Akhbar: 760 Torr |
| Ketumpatan (Diramalkan) | 1.316±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr |
| pKa (Diramalkan) | 3.84±0.21 | Suhu Paling Berasid: 25 °C |
SENYUMAN Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
SENYUMAN Isomerik 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
Kunci InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Nama Lain untuk Bahan ini
N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)karbonil]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)asid pentanoik; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)metoxy]karbonil]amino)asid pentanoik; 218: PN: U S20070042401 MUKA SURAT: 29 mendakwa protein; 909: PN: WO2006135786 MUKA SURAT: 59 mendakwa protein; Fmoc-L-Citrulline
Spectra tersedia
1H NMR
13C NMR
Mass
| Hartanah tersedia |
| Biologi |
| kimia |
| Ketumpatan |
| Lipinski |
| Berkaitan Struktur |
| terma |
Biologi
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 54.3 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 52.8 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 40.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 11.7 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.45 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
kimia
| Harta benda | Nilai | keadaan | 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 |
| Harta benda | Nilai | keadaan | 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 |
| Keterlarutan Intrinsik Jisim | 4.8 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.8 x 10-3 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 5.2 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 6.8 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.023 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.18 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.7 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 11 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 23 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 27 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 27 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.032 g/L | Air Tidak Penampan pH 4.18; Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.2 x 10-5 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.2 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.3 x 10-5 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.7 x 10-5 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 5.7 x 10-5 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.6 x 10-4 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.2 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.027 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.059 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.067 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 0.068 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 8.0 x 10-5 mol/L | Air Tidak Penampan pH 4.18; Suhu: 25 °C | (1) ACD |
| Berat Molekul | 397.43 | ||
| pKa | 3.84±0.21 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Suhu Paling Asas: 25 °C | (1) ACD |
| Tekanan Wap | 6.01 x 10-19 Torr | Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta benda | Nilai | keadaan | Sumber |
| Ketumpatan | 1.316±0.06 g/cm3 | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
| Isipadu Molar | 301.8±3.0 cm3/mol | Suhu: 20 °C; Akhbar: 760 Torr | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 9 | (1) ACD | |
| H Penerima | 8 | (1) ACD | |
| H Penderma | 5 | (1) ACD | |
| H Jumlah Penderma/Penerima | 13 | (1) ACD | |
| logP | 2.591±0.426 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 397.43 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Kawasan Permukaan Kutub | 131 A2 | (1) ACD | |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
terma
| Harta benda | Nilai | keadaan | Sumber |
| Takat Didih | 671.5±55.0 °C | Akhbar: 760 Torr | (1) ACD |
| Entalpi Pengewapan | 103.64±3.0 kJ/mol | Akhbar: 760 Torr | (1) ACD |
| Titik Kilat | 359.9±31.5 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1H NMR
13C NMR
Senarai Kawal Selia: IECSC, TCSI, VNECI Maklumat Sulit Perniagaan: Awam
| Sinonim Peraturan | ||
| Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-Ornitin, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Butiran mengikut Negara/Antarabangsa & Senarai Lain Maklumat Negara/Wilayah Tersedia
Ringkasan China
Status Inventori pada IECSC
Inventori Bahan Kimia Sedia Ada di China Nama Tersenarai: Fmoc-L-2-amino-5-ureido-n-valeric acid
Ringkasan Taiwan
Status Inventori pada Warta Kerajaan TCSI Taiwan
Viet Nam Ringkasan
Status Inventori pada VNECI
Vietnam Draf Inventori Kimia Kebangsaan
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