![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Ìomhaigh Sònraichte](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 601.69 | - |
| Puing Goil (Ro-innse) | 914.2±65.0 °C | Brùthadh: 760 Torr |
| Dlùths (Ro-innse) | 1.276±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr |
| pKa (Ro-innse) | 10.63±0.46 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O)N)C(C)C
Isomeric SMILES C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O)[C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27)31(41(2)37-27)31(41)37-28 32(34)42)30(40)36-22-15-13-21(18-39)14-16-22/h3-6,8-11,13-16,20, 27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)(H3,34,3
5,42)/t28-,29-/m0/s1
Iuchair InChI
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Ainm eile airson an stuth seo
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)
Speactra ri fhaighinn
1H NMR
13C NMR
| Togalaichean a tha rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dlùths |
| Lipinski |
| Co-cheangailte ri Structar |
| Teirmeach |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 809 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 912 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 923 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 924 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 924 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 924 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 924 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 922 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 903 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 750 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 4040 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 4550 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 4610 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 4620 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 4620 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 4620 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 4620 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 4610 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 4510 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 3740 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 1.7 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.0 x 10-4 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.1 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-4 g/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 2.9 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.3 x 10-7 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.5 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 601.69 | ||
| pKa | 10.63±0.46 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Teòthachd as Bunasaiche: 25 °C | (1) ACD |
| Brùthadh-smùide | 0 Torr | Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlùths
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.276±0.06 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 471.2±3.0 cm3/mol | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 15 | (1) ACD | |
| Gabhadairean H | 11 | (1) ACD | |
| Luchd-tabhartais H | 7 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 18 | (1) ACD | |
| logP | 4.206±0.767 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 601.69 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon Uachdar Pòlach | 172 A2 | (1) ACD | |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Puing Goil | 914.2±65.0 °C | Brùthadh: 760 Torr | (1) ACD |
| Enthalpaidh an t-Smùideachaidh | 139.25±3.0 kJ/mol | Brùthadh: 760 Torr | (1) ACD |
| Puing Flash | 506.7±34.3 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
13C NMR
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