![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoreen-9-ylmetoksy)karbonyl]-L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoreen-9-ylmetoksy)karbonyl]-L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]- (9CI, ACI) Ofbylding mei útsûndering](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoreen-9-ylmetoksy)karbonyl]-L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]- (9CI, ACI)
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 601.69 | - |
| Siedpunt (foarsein) | 914,2 ± 65,0 °C | Druk: 760 Torr |
| Dichtheid (foarsein) | 1,276 ± 0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 10.63±0.46 | Soerste temperatuer: 25 °C |
Kanonike 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
Isomere 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
YnChI
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(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-kaai
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Oare namme foar dizze stof
N-[(9H-Fluoreen-9-ylmetoksy)karbonyl]-L-valyl-N5-(aminokarbonyl)-N-[4-(hydroxymethyl)fenyl]-L-ornithinamide (ACI)
Spektra beskikber
1H NMR
13C NMR
| Beskikbere eigenskippen |
| Biologysk |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
| Termysk |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 809 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 912 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 923 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 924 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 924 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 924 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 924 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 922 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 903 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 750 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 4040 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 4620 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 1,7 x 10-4 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,0 x 10-4 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,1 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-4 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 2,9 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,3 x 10-7 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,5 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 601.69 | ||
| pKa | 10.63±0.46 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Meast basistemperatuer: 25 °C | (1) ACD |
| Dampdruk | 0 Torr | Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,276 ± 0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 471,2±3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 15 | (1) ACD | |
| H-akseptors | 11 | (1) ACD | |
| H Donateurs | 7 | (1) ACD | |
| H Donor/Akseptor Som | 18 | (1) ACD | |
| logP | 4.206±0.767 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 601.69 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 172 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Termysk
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 914,2 ± 65,0 °C | Druk: 760 Torr | (1) ACD |
| Enthalpy fan ferdamping | 139,25 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 506,7±34,3 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
![C17H19N3O6 Tymidine, α-okso-α-[(fenylmetyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-[(1,1-dimethyletyl)dimethylsilyl]-N-(2-metyl-1-oksopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)
