![C21H23N3O5 L-Ornitin, N5-(aminokarbonil)-N2-[(9H-fluorén-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) Gambar Unggul](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornitin, N5-(aminokarbonil)-N2-[(9H-fluorén-9-ylmethoxy) karbonil]- (9CI, ACI)
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 397.43 | - |
| Titik didih (diprediksi) | 671,5±55,0 °C | Pencét: 760 Torr |
| Kapadetan (diprediksi) | 1,316±0,06 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 3,84±0,21 | Suhu Paling Asam: 25 °C |
Seuri 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
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
Konci InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Ngaran séjén pikeun Zat ieu
N5-(Aminokarbonil)-N2-[(9H-fluorén-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 Kaca: 29 ngaku protéin; 909: PN: WO2006135786 Kaca: 59 ngaku protéin; Fmoc-L-Citrulline
Spéktra sadia
1H NMR
13C NMR
Massa
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
| Termal |
Biologis
| Harta | Nilai | kaayaan | 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) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | kaayaan | 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 | Nilai | kaayaan | 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 |
| Kalarutan Intrinsik Massa | 4,8 x 10-3 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,8 x 10-3 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,2 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 6,8 x 10-3 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,023 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,18 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,7 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 11 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 23 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 27 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 27 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,032 g/L | Cai Unbuffered pH 4,18; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,2 x 10-5 mol/L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,2 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-5 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,7 x 10-5 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 5,7 x 10-5 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,6 x 10-4 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,2 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,027 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,059 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,067 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,068 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,0 x 10-5 mol/L | Cai Unbuffered pH 4,18; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 397.43 | ||
| pKa | 3,84±0,21 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Suhu Dasar: 25 °C | (1) ACD |
| Tekanan uap | 6,01 x 10-19 Torr | Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kapadetan
| Harta | Nilai | kaayaan | Sumber |
| Kapadetan | 1,316±0,06 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 301,8±3,0 cm3/mol | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 9 | (1) ACD | |
| H Akséptor | 8 | (1) ACD | |
| H Donor | 5 | (1) ACD | |
| H Donor / Akséptor Jumlah | 13 | (1) ACD | |
| logP | 2,591±0,426 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 397.43 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 131 A2 | (1) ACD | |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Termal
| Harta | Nilai | kaayaan | Sumber |
| Titik didih | 671,5±55,0 °C | Pencét: 760 Torr | (1) ACD |
| Éntalpi Nguap | 103,64±3,0 kJ/mol | Pencét: 760 Torr | (1) ACD |
| Titik kaingetan | 359,9 ± 31,5 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
13C NMR
Daptar pangaturan: IECSC, TCSI, Émbaran Usaha Rahasia VNECI: umum
| Sinonim régulasi | ||
| Fmoc-L-2-amino-5-ureido-n-valeric asam | IECSC | - |
| L-Ornitin, N5-(aminokarbonil)-N2-[(9H-fluorén-9-ylmethoxy)karbonil]- | TCSI, VNECI | - |
Rinci dumasar Nagara / Internasional & Daptar séjén Nagara / Émbaran Wewengkon sadia
Cina Ringkesan
Status Inventory on IECSC
Inventarisasi Zat Kimia anu Aya di Cina Ngaran Daptar: Fmoc-L-2-amino-5-ureido-n-valeric acid
Taiwan Ringkesan
Status Inventaris dina Warta Pamaréntah TCSI Taiwan
Vietnam Ringkesan
Inventory Status on VNECI
Vietnam Draf Inventory Kimia Nasional
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