C33H39N5O6 L-ORNITHINAMIDE, N - [(9H-Fluoren-9-Ylmethoxy) -L-Valyl-N5- (AminoCarBonyl) -N- [4- (HydroxyMethyl) - (9CI, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 601.69 | - |
| Point Point (texmîn kirin) | 914.2 ± 65.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.276 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 10.63 ± 0.46 | Temana herî acid: 25 ° C |
Canonical Smiles O = C (OCC1C = 2C = cc = CC2C = 3C (C (= o) NC (C (= O) NC4 = CC = C (= O) N) C (C) C (C) C
Isomeric smiles c (oc (n [c @ h] (c (nc1 = h]) = o) CCCNC (c) cc = 3c (c = 4c2 = cc = cc4) = cc = cc3
Inchi
Inchi = 1s / c33h39n5o6 / c1-20 (2) 29 (38-33 (43) 44-5-3-8-23 (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) 14-16-27-13-16,8-27-13-39h, 7,2-17-19h2,4-17-19h, 36,40) (H, 38,41) (H, 38,43) (H 38,43)
5,42) / T28-, 29- / M0 / S1
Keyeya Inchi
DALMAZHDNFCdRP-vmPrefPwsa-N
1 navê din ji bo vê madeyê
N - [(9H-Fluoren-9-Ylmethoxy) Carbonyl] -l-Valyl-N5- (Aminocarbonyl) -N- [4- (HydroxyMethyl) Phenyl] -L-ORNITHINAMIDE (ACI)
Spectra peyda dibe
1h nmr
13C nmr
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 809 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 912 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 923 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 924 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 924 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 924 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 924 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 922 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 903 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 750 750 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 4040 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 4550 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 4610 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 4620 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 4620 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 4620 | PH 6; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 4620 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4610 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 4510 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 3740 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.15 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.21 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.21 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.20 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.11 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.206 ± 0.767 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 1.7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.0 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.1 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-4 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 2.9 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.3 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 2.9 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-7 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 601.69 | ||
| pka | 10.63 ± 0.46 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 0.13 0.50 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 0 Torr | Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.276 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 471.2 ± 3.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 15 | (1) ACD | |
| H qebûlkar | 11 | (1) ACD | |
| H Donors | 7 | (1) ACD | |
| H Donor / Qedexe | 18 | (1) ACD | |
| logp | 4.206 ± 0.767 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 601.69 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 172 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala zirav | 914.2 ± 65.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 139.25 ± 3.0 Kj / Mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 506.7 ± 34.3 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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