C20H31no5 Heptanoic Acid, 3- Hydroxy-Methyl-4 - [phenylmethoxy) - 1,1-Dimethylll Ester, [3,1 - 3r *, 4s *) - (9CI) H301
| Key Force Properties | Kukosha | Mamiriro |
| Sreek inoremerwa | 365.46 | - |
| Boiling Point (yakafanotaurwa) | 504.1 ± 50.0 ° C | Press: 760 Torr |
| Density (yakafanotaurwa) | 1.091 × 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (akafanotaura) | 11.82 ± 0.46 | Yakawanda Acadic Temp: 25 ° C |
Canonical SMILES O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
Isomeric smiles [c @ h] ([c @ h] (cc (cc (c) c) = o) cc = cc = cc = cc) cc) c
Ichi
Inchi = 1S / C22h31no5 / C1-6-14 (2) 18 (16) 12-17 (35) 26-13 (24) 25-16-7-7,18H, 6,12-13 H3, (H, 21,24) / T14-, 16 +, 18- / M0 / S1
Inchi kiyi
Aztsbawjrolriq-lescradosa-n
| Zvivakwa zviripo |
| Biological |
| CHEMICAL |
| Density |
| Lipininski |
| Chimiro chakabatana |
| Thermal |
Biological
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Bioconentice Factor | 616 | ph 1; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph 2; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph 3; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph 4; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph 5; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph 6; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph7; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 617 | Ph:; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 616 | Ph 9; Temp: 25 ° C | (1) ACD |
| Bioconentice Factor | 604 | Ph 10; Temp: 25 ° C | (1) ACD |
.
CHEMICAL
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Koc | 3450 | ph 1; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph 3; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph 4; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph 5; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph 6; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph7; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | Ph:; Temp: 25 ° C | (1) ACD |
| Koc | 3450 | Ph 9; Temp: 25 ° C | (1) ACD |
| Koc | 3390 | Ph 10; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | ph 1; Temp: 25 ° C | (1) ACD |
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Logd | 3.97 | Ph 2; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph 3; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph 4; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph 5; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph 6; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph7; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph:; Temp: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph 9; Temp: 25 ° C | (1) ACD |
| Logd | 3.96 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Misa intrinsic solubility | 0.062 g / l | Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | ph 1; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 2; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 3; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 4; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 5; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 6; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph7; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph:; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 9; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Ph 10; Temp: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g / l | Isina kuvhurirwa mvura Ph 6.99; Temp: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.7 x 10-4 Mol / l | Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | ph 1; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 2; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 3; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 4; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 5; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 6; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph7; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph:; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 9; Temp: 25 ° C | (1) ACD |
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Moul solubility | 1.7 x 10-4 Mol / l | Ph 10; Temp: 25 ° C | (1) ACD |
| Moul solubility | 1.7 x 10-4 Mol / l | Isina kuvhurirwa mvura Ph 6.99; Temp: 25 ° C | (1) ACD |
| Sreek inoremerwa | 365.46 | ||
| Pka | 11.82 ± 0.46 | Yakawanda Acadic Temp: 25 ° C | (1) ACD |
| Pka | -1.56 × 0.70 | Yakanyanya kukosha temp: 25 ° C | (1) ACD |
| Vapor kumanikidzwa | 5.56 x 10-11 Torr | Temp: 25 ° C | (1) ACD |
.
Density
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Density | 1.091 × 0.06 G / CM3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Malal vhoriyamu | 334.7 × 3.0 CM3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
.
Lipininski
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Zvisikwa zvakasununguka zvinosununguka | 12 | (1) ACD | |
| H Acceltors | 6 | (1) ACD | |
| H Vanopa | 2 | (1) ACD | |
| H Anopa / Mugamuchire Sum | 8 | (1) ACD | |
| logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Sreek inoremerwa | 365.46 |
.
Chimiro chakabatana
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Polar Pource Area | 84.9 A2 | (1) ACD | |
.
Thermal
| Chivakwa | Kukosha | Mamiriro | Kunobva |
| Boiling Point | 504.1 ± 50.0 ° C | Press: 760 Torr | (1) ACD |
| Enthalpy yeVaporization | 81.44 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
| Flash Pfungwa | 258.6 ± 30.1 ° C | (1) ACD |
.
Spectra inowanikwa
1h Nmr
13c NMR
| Kodhi | Thazard Chirevo | Kunobva |
| H301 | Chepfu kana kumedzwa | European Chemical Agency (Echa) Kugadziriswa kweKugadziriswa - Kuziviswa Kwekutsikisa - Kuzivikanwa Kwemaketi |
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