![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)fenyl]- (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)fenyl]- (9CI, ACI) Wêne ya Taybet](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)fenyl]- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 601.69 | - |
| Xala kelandinê (pêşbînîkirî) | 914,2±65,0 °C | Çapemenî: 760 Torr |
| Density (Pêşbîn kirin) | 1,276±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 10,63±0,46 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî 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
PÊŞÎNÊN ÎZOMERÎ 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
InChI Key
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Navê din ji bo vê madeyê
N-[(9H-Fluoren-9-îlmetoksî)karbonîl]-L-valîl-N5-(aminokarbonîl)-N-[4-(hîdroksîmetîl)fenîl]-L-ornîtînamîd (ACI)
Spectra heye
1H NMR
13C NMR
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
| Termal |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 809 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 912 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 923 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 924 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 924 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 924 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 924 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 922 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 903 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 750 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 4040 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 4620 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 4,206±0,767 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,7 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,0 x 10-4 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,1 x 10-4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,7 x 10-4 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 2,9 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,3 x 10-7 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,5 x 10-7 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-7 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 601.69 | ||
| pKa | 10,63±0,46 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Germahiya herî bingehîn: 25 °C | (1) ACD |
| Vapor Pressure | 0 Torr | Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,276±0,06 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 471,2±3,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 15 | (1) ACD | |
| H Qebûrker | 11 | (1) ACD | |
| H Donors | 7 | (1) ACD | |
| H Donor / Qebûl Sum | 18 | (1) ACD | |
| logP | 4,206±0,767 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 601.69 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 172 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Termal
| Mal | Giranî | Rewş | Kanî |
| Xala kelandinê | 914,2±65,0 °C | Çapemenî: 760 Torr | (1) ACD |
| Entalpiya Vaporîzasyonê | 139,25±3,0 kJ/mol | Çapemenî: 760 Torr | (1) ACD |
| Flash Point | 506,7±34,3 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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