![C33H39N5O6 L-Ornithinamid, 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-Ornithinamid, N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Ausgewielt Bild](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamid, N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 601,69 | - |
| Kachpunkt (virausgesot) | 914,2±65,0 °C | Dréck: 760 Torr |
| Dicht (virausgesot) | 1,276±0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 10,63±0,46 | Säurege Temperatur: 25 °C |
Kanonesch Laachen 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
Isomeresch 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)127-781 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
InChI Schlëssel
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Aneren Numm fir dës Substanz
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamid (ACI)
Spektren verfügbar
1H NMR
13C-NMR
| Verfügbar Immobilien |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Strukturbezunnen |
| Thermesch |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 809 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 912 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 923 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 924 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 924 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 924 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 924 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 922 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 903 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 750 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 4040 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 4620 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,206±0,767 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 1,7 x 10⁻⁴ g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,0 x 10⁻⁴ g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,1 x 10⁻⁴ g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 x 10⁻⁴ g/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 2,9 x 10⁻⁶ mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,3 x 10⁻⁶ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,5 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,9 x 10⁻⁶ mol/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 601,69 | ||
| pKa | 10,63±0,46 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Basis Temperatur: 25 °C | (1) ACD |
| Dampdrock | 0 Torr | Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,276±0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 471,2±3,0 cm3/mol | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 15 | (1) ACD | |
| H-Akzeptoren | 11 | (1) ACD | |
| H Spender | 7 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 18 | (1) ACD | |
| logP | 4,206±0,767 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 601,69 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Polarfläche | 172 A2 | (1) ACD | |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Kachpunkt | 914,2±65,0 °C | Dréck: 760 Torr | (1) ACD |
| Enthalpie vun der Verdampfung | 139,25 ± 3,0 kJ/mol | Dréck: 760 Torr | (1) ACD |
| Flammpunkt | 506,7±34,3 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13C-NMR
![C17H19N3O6 Thymidin, α-oxo-α-[(phenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)
