![C21H23N3O5 L-Ornithine, N5-(aimínacarbóin)-N2-[(9H-fluoren-9-ilmethoxy) carbónil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithine, N5-(aimínacarbóin)-N2-[(9H-fluoren-9-ilmethoxy) carbónil]- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aimínacarbóin)-N2-[(9H-fluoren-9-ilmethoxy) carbónil]- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 397.43 | - |
| Fiuchphointe (Tuartha) | 671.5±55.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.316±0.06 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 3.84±0.21 | Teocht is Airde: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
SMILES isiméireacha C(OC(N[C@@H](CCCCNC(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
Eochair InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Ainmneacha Eile don tSubstaint seo
N5-(Aimínacarbón)-N2-[(9H-fluoren-9-ilmethocsa)carbóinil]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ilmethox ycarbonylamino) aigéad pentanoic; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-il)meatocsa]carbóinil]aimín)aigéad peinteanóch; 218: PN: U S20070042401 LEATHANACH: 29 éileamh próitéin; 909: PN: WO2006135786 LEATHANACH: 59 éileamh próitéin; Fmoc-L-Citrulline
Spectra ar fáil
1H NMR
13C NMR
Aifreann
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 54.3 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 52.8 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 40.0 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 11.7 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1. 45 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 606 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 589 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 446 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 130 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 16.2 | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 1.76 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 2. 59 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 2. 57 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 2. 45 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 1.92 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 1. 01 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 0. 05 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | -0.76 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | -1.10 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | -1.15 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | -1.16 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 2.591±0.426 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 4.8 x 10-3 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.8 x 10-3 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.2 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.8 x 10-3 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.023 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.18 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 11 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 23 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 27 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 27 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.032 g/L | Uisce Neamh-mhaolaithe pH 4.18; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.2 x 10-5 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.2 x 10-5 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.3 x 10-5 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.7 x 10-5 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 5.7 x 10-5 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.6 x 10-4 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.2 x 10-3 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.027 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.059 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.067 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.068 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.0 x 10-5 mol/L | Uisce Neamh-mhaolaithe pH 4.18; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 397.43 | ||
| pKa | 3.84±0.21 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 6.01 x 10-19 Torr | Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.316±0.06 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 301.8±3.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 9 | (1) ACD | |
| H Glacadóirí | 8 | (1) ACD | |
| H Deontóirí | 5 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 13 | (1) ACD | |
| logP | 2.591±0.426 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 397.43 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 131 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 671.5±55.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 103.64 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 359.9±31.5 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
Liosta Rialála: IECSC, TCSI, VNECI Eolas Gnó Rúnda: Poiblí
| Comhchiallaigh Rialála | ||
| Aigéad Fmoc-L-2-aimín-5-ureido-n-valeric | IECSC | - |
| L-Ornithine, N5-(aimínacarbóin)-N2-[(9H-fluara-9-ilmethocsa)carbóinil]- | TCSI, VNECI | - |
Sonraí de réir Tíre/Idirnáisiúnta agus Liostaí Eile Eolas Tíre/Réigiúin Ar Fáil
Achoimre tSín
Stádas Fardail ar IECSC
Fardal Substaintí Ceimiceacha Reatha sa tSín Ainm(neacha Liostaithe): Fmoc-L-2-aimín-5-ureido-n-valeric acid
Achoimre Taiwan
Stádas Fardail ar TCSI Taiwan Government Gazette
Achoimre Vítneam
Stádas Fardail ar VNECI
Dréacht-Fhardal Ceimiceach Náisiúnta Vítneam
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