![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 fheartan corporra | Luach | Staid |
| Cuideam Molecular | 601.69 | - |
| puing ghoil (ri dùil) | 914.2±65.0 °C | Brùth: 760 Torr |
| Dùmhlachd (Ro-innse) | 1.276 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 10.63±0.46 | Teòthachd as searbhach: 25 °C |
Canonical SMILES 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)37-28(12-7-17-35- 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
Iuchrach InChI
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Ainm eile do'n t-Suim so
N-[(9H-Fluoren-9-ylmethoxy)carbonyl] -L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)
Spectra ri fhaighinn
1H NMR
13C NMR
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
| Teirmeach |
Bith-eòlasach
| Seilbh | Luach | Staid | 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 a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | 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 | Staid | 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 |
| Mòr-fhuasgladh gnèitheach | 1.7 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.0 x 10-4 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.1 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-4 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 2.9 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.3 x 10-7 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 601.69 | ||
| pKa | 10.63±0.46 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
| Brùthadh vapor | 0 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 | 1.276 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 471.2 ± 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 | 15 | (1) ACD | |
| H Luchd-gabhail | 11 | (1) ACD | |
| H Luchd-tabhartais | 7 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 18 | (1) ACD | |
| logP | 4.206±0.767 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 601.69 |
(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 | 172 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 | 914.2±65.0 °C | Brùth: 760 Torr | (1) ACD |
| Enthalpy vaporization | 139.25 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Flash puing | 506.7±34.3 °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
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