![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ilmethoxy)carbóinil]-L-valyl-N5- (aimínacarbóin)-N-[4-(hiodrocsaimeitil)feinil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ilmethoxy)carbóinil]-L-valyl-N5- (aimínacarbóin)-N-[4-(hiodrocsaimeitil)feinil]- (9CI, ACI) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ilmethoxy)carbóinil]-L-valyl-N5- (aimínacarbóin)-N-[4-(hiodrocsaimeitil)feinil]- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 601.69 | - |
| Fiuchphointe (Tuartha) | 914.2±65.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.276±0.06 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 10.63±0.46 | Teocht is Airde: 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
SMILES isiméireacha 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
Eochair InChI
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Ainm Eile don tSubstaint seo
N-[(9H-Fluairín-9-ilmethocsa)carbóinil]-L-valyl-N5-(aimínacarbóin)-N-[4-(hiodrocsaimeitil)feinil]-L-ornithinaimíd (ACI)
Spectra ar fáil
1H NMR
13C NMR
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 809 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 912 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 923 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 924 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 924 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 924 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 924 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 922 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 903 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 750 | 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 | 4040 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 4550 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 4610 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 4620 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 4620 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 4620 | pH 6; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 4620 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 4610 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 4510 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 3740 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 4. 19 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 1.7 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.0 x 10-4 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.1 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.7 x 10-4 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 2.9 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.3 x 10-7 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.5 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 601.69 | ||
| pKa | 10.63±0.46 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 0 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 | 1.276±0.06 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 471.2±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 | 15 | (1) ACD | |
| H Glacadóirí | 11 | (1) ACD | |
| H Deontóirí | 7 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 18 | (1) ACD | |
| logP | 4.206±0.767 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 601.69 |
(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 | 172 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 | 914.2±65.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 139.25±3.0 kJ/mól | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 506.7±34.3 °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
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