![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine.jpg)
C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 397.43 | - |
| puing ghoil (ri dùil) | 671.5±55.0 °C | Brùth: 760 Torr |
| Dùmhlachd (Ro-innse) | 1.316 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 3.84±0.21 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomeric SMILES 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
Iuchrach InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Ainmean Eile air son an Fhois so
N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl] -L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino) searbhag pentanoic; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl) methoxy] carbonyl] amino) searbhag pentanoic; 218: PN: U S20070042401 DUILLEAG: 29 tagradh pròtain; 909: PN: WO2006135786 DUILLEAG: 59 tagradh pròtain; Fmoc-L-Citrulline
Spectra ri fhaighinn
1H NMR
13C NMR
Aifreann
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
| Teirmeach |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 54.3 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 52.8 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 40.0 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 11.7 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.45 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.0 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 606 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 589 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 446 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 130 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 16.2 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 1.76 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.0 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.0 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.0 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.0 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 2.59 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 2.57 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 2.45 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 1.92 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 1.01 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 0.05 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | -0.76 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | -1.10 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | -1.15 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | -1.16 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 2.591±0.426 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 4.8 x 10-3 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.8 x 10-3 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.2 x 10-3 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.8 x 10-3 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.023 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.18 g/l | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 g/l | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 11 g/l | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 23 g/l | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 27 g/l | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 27 g/l | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.032 g / L | Uisge gun bhacadh pH 4.18; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.2 x 10-5 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-5 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-5 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 5.7 x 10-5 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-4 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-3 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.027 mol / L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.059 mol / L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.067 mol / L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 0.068 mol / L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-5 mol/L | Uisge gun bhacadh pH 4.18; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 397.43 | ||
| pKa | 3.84±0.21 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
| Brùthadh vapor | 6.01 x 10-19 Torr | Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.316 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 301.8 ± 3.0 cm3 / mol | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 9 | (1) ACD | |
| H Luchd-gabhail | 8 | (1) ACD | |
| H Luchd-tabhartais | 5 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 13 | (1) ACD | |
| logP | 2.591±0.426 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 397.43 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 131 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Rubha Goil | 671.5±55.0 °C | Brùth: 760 Torr | (1) ACD |
| Enthalpy vaporization | 103.64 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Flash puing | 359.9±31.5 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1H NMR
13C NMR
Liosta Riaghlaidh: IECSC, TCSI, VNECI Fiosrachadh Gnothachais Dìomhair: Poblach
| Synonyms riaghlaidh | ||
| Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
| L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Mion-fhiosrachadh a rèir Dùthaich / Eadar-nàiseanta & Liostaichean Eile Fiosrachadh Dùthaich / Sgìre ri fhaighinn
Geàrr-chunntas Sìona
Inbhe Cunntais air IECSC
Clàr de Stuthan Ceimigeach a th’ ann an-dràsta ann an Sìona Ainm (ean) Clàraichte: Fmoc-L-2-amino-5-ureido-n-valeric acid
Geàrr-chunntas Taiwan
Inbhe clàr air TCSI Taiwan Government Gazette
Geàrr-chunntas Bhietnam
Inbhe clàr air VNECI
Dreach Clàr-stuthan Ceimigeach Nàiseanta Bhietnam
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