![C33H39N5O6 L-Ornithinamide, 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-Ornithinamide, N-[(9H-Fluoren-9-ylmethoxy) Carbonyl] -L-Valyl-N5- (Aminocarbonyl) -n- [4- (Hydroxymethyl) Phenyl]-(9ci, ACI) na nagtatampok ng imahe](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) Phenyl]-(9ci, Aci)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 601.69 | - |
| Boiling point (hinulaang) | 914.2 ± 65.0 ° C. | Pindutin: 760 Torr |
| Density (hinulaang) | 1.276 ± 0.06 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 10.63 ± 0.46 | Karamihan sa acidic temp: 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.
Isomeric 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) 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 iba pang pangalan para sa sangkap na ito
N-[(9H-Fluoren-9-ylmethoxy) Carbonyl] -L-Valyl-N5- (Aminocarbonyl) -n- [4-
Magagamit ang spectra
1h nmr
13c nmr
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
| Thermal |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 809 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 912 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 923 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 924 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 924 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 924 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 924 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 922 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 903 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 750 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Mass intrinsic solubility | 1.7 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.0 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.1 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-4 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 2.9 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.3 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.5 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 601.69 | ||
| PKA | 10.63 ± 0.46 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 0.13 ± 0.50 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
| Presyon ng singaw | 0 Torr | Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Density
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Density | 1.276 ± 0.06 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 471.2 ± 3.0 cm3/mol | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 15 | (1) ACD | |
| H Mga Tanggap | 11 | (1) ACD | |
| H donor | 7 | (1) ACD | |
| H Donor/Acceptor Sum | 18 | (1) ACD | |
| Logp | 4.206 ± 0.767 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 601.69 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Polar Surface Area | 172 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Boiling point | 914.2 ± 65.0 ° C. | Pindutin: 760 Torr | (1) ACD |
| Enthalpy ng singaw | 139.25 ± 3.0 kJ/mol | Pindutin: 760 Torr | (1) ACD |
| Flash point | 506.7 ± 34.3 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
13c nmr
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